Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
| Member | Definition | Class |
|---|
| (-)-catechin | The (-)-enantiomer of catechin. | (-)-catechin |
| (-)-catechin-3-O-gallate | A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. | (-)-catechin-3-O-gallate |
| (+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside | A lignan that is (+)-lyoniresinol substituted by a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the root barks of Stemmadenia minima and Lycium chinense, it exhibits antimicrobial activities. | (+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside |
| (1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene | | (1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene |
| (2E,4E)-N-isobutyl-2,4-dodecadienamide | | (2E,4E)-N-isobutyl-2,4-dodecadienamide |
| (R)-(+)-6',7'-dihydroxybergamottin | | (R)-(+)-6',7'-dihydroxybergamottin |
| (S)-ATPA | A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group. | (S)-ATPA |
| (Z)-6,6',7,3'a-Diligustilide | | (Z)-6,6',7,3'a-Diligustilide |
| 1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone | | Euparin |
| 1-acetyl-beta-carboline | | 1-Acetyl-beta-carboline |
| 1-methylcytosine | A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group. | 1-methylcytosine |
| 1-methylguanosine | Guanosine substituted with a methyl group at position N-1. | 1-methylguanosine |
| 1-methylinosine | Inosine carrying a methyl substituent at position 1 on the hypoxanthine ring. | 1-methylinosine |
| 1-methylthymine | A pyrimidone that is uracil with methyl group substituents at positions 1 and 5. | 1,5-dimethyluracil |
| 1-methyluracil | A pyrimidone that is uracil with a methyl group substituent at position 1. | 1-methyluracil |
| 1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine | A lysophosphatidylcholine O-16:0e in which the hexadecyl group at C-1 contains 16 carbons of which none are unsaturated. | lysophosphatidylcholine O-16:0/0:0 |
| 1-propanol | The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. | propan-1-ol |
| 1-salicylate glucuronide | A beta-D-glucosiduronic acid that is the glucuronide conjugate of salicyclic acid. | 1-salicylate glucuronide |
| 1,3-dimethyluracil | A pyrimidone that is uracil with methyl group substituents at positions 1 and 3. | 1,3-dimethyluracil |
| 1,3-dimethyluric acid | An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. | 1,3-dimethyluric acid |
| 1,3-propanediol | The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze. | propane-1,3-diol |
| 1,4-dioxane | A dioxane with oxygen atoms at positions 1 and 4. | 1,4-dioxane |
| 1,7-dihydroxy-4-methoxyxanthone | A member of the class of xanthones that is 9H-xanthene substituted by hydroxy groups at positions 1 and 7, a methoxy group at position 4 and an oxo group at position 9. It has been isolated from the stems of Cratoxylum cochinchinense. | 1,7-dihydroxy-4-methoxyxanthone |
| 10-deoxymethynolide | A macrolide that consists of oxacyclododec-9-ene-2,8-dione bearing four methyl substituents at positions 3, 5, 7 and 11 as well as a hydroxy group at position 4 and an ethyl substituent at position 12. The aglycone of the macrolide antibiotic 10-deoxymethymycin. | 10-deoxymethynolide |
| 11-hydroxynoracronycine | | 5-Hydroxynoracronycine |
| 12-deoxyphorbol 13-acetate | | prostratin |
| 12-hydroxy-5,8,10-heptadecatrienoic acid | A trienoic fatty acid that consists of heptadeca-5,8,10-trienoic acid bearing an additional 12-hydroxy substituent. | 12-HHTrE |
| 13-oxo-9,11-octadecadienoic acid | An oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13. | 13-oxo-9E,11E-ODE |
| 13-oxo-9,11-octadecadienoic acid | An oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha. | 13-oxo-9Z,11E-ODE |
| 13,14-dihydro-15-ketoprostaglandin d2 | | 13,14-dihydro-15-ketoprostaglandin D2 |
| 15-deoxy-delta(12,14)-prostaglandin j2 | A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. | 15-deoxy-Delta(12,14)-prostaglandin J2 |
| 15-keto-13,14-dihydroprostaglandin f2alpha | A prostaglandin Falpha obtained by formal oxidation of the 15-hydroxy group and hydrogenation of the 13,14-double bond of prostaglandin F2alpha. | 13,14-dihydro-15-keto-PGF2alpha |
| 16-epivincamine | | 16-epivincamine |
| 16beta,17-dihydroxy-ent-kaurane-19-oic acid | A ent-kaurane diterpenoid that is ent-kaurane-19-oic acid substituted by hydroxy groups at positions 16 and 17 (the 16beta stereoisomer). It is isolated from Helianthus sp. and Annona squamosa and exhibits anti-HIV activity. | 16beta,17-dihydroxy-ent-kaurane-19-oic acid |
| 17-alpha-hydroxyprogesterone | A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. | 17alpha-hydroxyprogesterone |
| 17-hydroxyjolkinolide b | | 17-hydroxyjolkinolide B |
| 17,18-epoxy-5,8,11,14-eicosatetraenoic acid | An EpETE obtained by formal epoxidation of the 17,18-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. | 17(18)-EpETE |
| 19-norandrosterone | | 19-norandrosterone |
| 2-(2-aminoethyl)pyridine | An aminoalkylpyridine that is pyridine substituted by a ethanamino group at position 2. | 2-pyridylethylamine |
| 2-(hydroxymethyl)anthraquinone | | 2-(hydroxymethyl)anthraquinone |
| 2-acetamidoethanethiol | A member of the class of acetamides that is the N-acetyl-deriavtive of cysteamine. | N-acetylcysteamine |
| 2-acetamidoglucal | A glycal derivative that is 1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol substituted by an acetylamino group at position 2. | 2-acetamidoglucal |
| 2-acetyl-1-pyrroline | A pyrroline that is 1-pyrroline in which the hydrogen at position 2 is replaced by an acetyl group. It is an aroma and flavour compound present in jasmine rice and basmati rice. It is responsible for the 'popcorn' aroma in a large variety of cereal and food products. It is one of the key odourants of the crust of bread and considered to be responsible for the cracker-like odour properties. In bread, it is primarily generated during baking but amounts are influenced by ingredient composition and fermentation conditions. | 2-acetyl-1-pyrroline |
| 2-amino-3,3-dimethylbutanoic acid | A glycine derivative that is glycine with a tertiary butyl group at position 2. | tert-butylglycine |
| 2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine | A member of the class of pyrimidodiazepine 3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one bearing amino and acetyl substituents at positions 2 and 6 respectively. | 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one |
| 2-aminonicotinic acid | An aminonicotinic acid in which the amino group is situated at position 2 of the pyridine ring. | 2-aminonicotinic acid |
| 2-chloroacrylic acid | A chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine. | 2-chloroacrylic acid |
| 2-dichlorobenzene | A dichlorobenzene carrying chloro substituents at positions 1 and 2. | 1,2-dichlorobenzene |
| 2-hydroxycinnamic acid | The trans-isomer of 2-coumaric acid. | trans-2-coumaric acid |
| 2-hydroxyestradiol | A 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2. | 2-hydroxy-17beta-estradiol |
| 2-hydroxyquinoxaline | A hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2. | quinoxalin-2-ol |
| 2-methoxy-1,4-naphthoquinone | A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 2-methoxy-1,4-naphthoquinone |
| 2-methoxyestradiol | A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. | 2-methoxy-17beta-estradiol |
| 2-methylhippuric acid | An N-acylglycine that is the ortho-methyl derivative of hippuric acid. | o-methylhippuric acid |
| 2-methylhistamine | An aralkylamino compound that is histamine bearing a methyl substituent at the 2 position on the ring. | 2-methylhistamine |
| 2-octanone | A methyl ketone that is octane substituted by an oxo group at position 2. | 2-octanone |
| 2-phenylethyl acetate | The acetate ester of 2-phenylethanol. | phenethyl acetate |
| 2-pyrrolidone | The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA). | pyrrolidin-2-one |
| 2,2-di(4-methacryloxyphenyl)propane | A bisphenol that is bisphenol A condensed with two molecules of methacrylic acid. | bisphenol A dimethacrylate |
| 2,2-dimethylbutyric acid | A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies. | 2,2-dimethylbutyric acid |
| 2,2'-thiodiethanol | A diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom | thiodiglycol |
| 2,3-dihydro-3beta-methoxy withaferin A | A withanolide that is 2,3-dihydrowithaferin A substituted by a beta-methoxy group at position 3. It has been isolated from the aerial parts of Physalis longifolia. | 2,3-dihydro-3beta-methoxy withaferin A |
| 2,3-dihydro-3beta-O-sulfate withaferin A | A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. | 2,3-dihydro-3beta-O-sulfate withaferin A |
| 2,3-dinor-6-ketoprostaglandin f1alpha | A prostanoid that is prostaglandin F1alpha lacking two methylenes in the carboxyalkyl chain and bearing an oxo group at the 6-position. | 2,3-dinor-6-oxoprostaglandin F1alpha |
| 2,3-hexanedione | An alpha-diketone that is hexane substituted by oxo groups at positions 2 and 3 respectively. | hexane-2,3-dione |
| 2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2, 3, 6 and 8, an isoprenyl group at position 1 and a 2-methylbut-3-en-2-yl group at position 5. It is isolated from the root barks of Cudrania tricuspidata and exhibits cytotoxicity towards human cancer cell lines. | cudratricusxanthone A |
| 2,4-diaminotoluene | An aminotoluene that is para-toluidine with an additional amino group at position 2. | 2,4-diaminotoluene |
| 2,4,5-trihydroxypentanoic acid gamma-lactone | | 2-deoxy-D-ribono-1,4-lactone |
| 2'-deoxyuridylic acid | A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having uracil as the nucleobase. | dUMP |
| 2'-methoxykurarinone | A dimethoxyflavanone that is (2S)-(-)-kurarinone in which the hydroxy group at position 2' is replaced by a methoxy group. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity against human myeloid leukemia HL-60 cells. | (2S)-2'-methoxykurarinone |
| 2'-o-methylguanosine | Guanosine with the hydrogen on the hydroxyl at position C-2' substituted with a methyl group. | 2'-O-methylguanosine |
| 23-epi-26-deoxyactein | | 23-epi-26-deoxyactein |
| 23-hydroxybetulinic acid | | 23-Hydroxybetulinic acid |
| 24-ethyl-4-cholesten-3-one | | beta-sitostenone |
| 26-deoxyactein | | 26-Deoxyactein |
| 3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide | | N-trans-feruloyl-3-methoxytyramine |
| 3-acetyllupeol | | lupeol acetate |
| 3-aminobutyric acid | A beta-amino acid that is butyric acid which is substituted by an amino group at position 3. | 3-aminobutanoic acid zwitterion; 3-aminobutanoic acid |
| 3-aminoisobutyric acid | A beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. | 3-aminoisobutanoic acid zwitterion; 3-aminoisobutyric acid |
| 3-deoxysappanchalcone | A member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2' is replaced by a methoxy group. | 2'-O-methylisoliquiritigenin |
| 3-epioleanolic acid | | 3-epioleanolic acid |
| 3-hydroxyaspartic acid, (threo-l)-isomer | The (3S)-diastereomer of 3-hydroxy-L-aspartic acid. | (3S)-3-hydroxy-L-aspartic acid |
| 3-hydroxybenzyl alcohol | A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. | 3-hydroxybenzyl alcohol |
| 3-hydroxyflavanone | A monohydroxyflavanone in which the hydroxy group is located at position 3'. | 3'-hydroxyflavanone |
| 3-hydroxyhippuric acid | An N-acylglycine that is hippuric acid (N-benzoylglycine) substituted at position 3 on the phenyl ring by a hydroxy group. | m-hydroxyhippuric acid |
| 3-methoxysalicylic acid | Benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3. | 3-methoxysalicylic acid |
| 3-methyl-2-butenal | An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1. | 3-methylbut-2-enal |
| 3-methylcytosine | A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 3 is substituted by a methyl group. | 3-methylcytosine |
| 3-methyleneindolenine | An indole that consists of 3H-indole bearing a methylene substituent at position 3. | 3-methyleneindolenine |
| 3-methylglutaric acid | An alpha,omega-dicarboxylic acid that is glutaric acid substituted at position 3 by a methyl group. | 3-methylglutaric acid |
| 3-methylglutarylcarnitine | An O-methylglutarylcarnitine compound having 3-methylglutaryl as the acyl substituent. | O-3-methylglutarylcarnitine |
| 3-methylhippuric acid | An N-acylglycine that is the 3-methyl derivative of hippuric acid. | m-methylhippuric acid |
| 3-methylquercetin | A monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. | isorhamnetin |
| 3-methylthymine | A pyrimidone that is uracil with methyl group substituents at positions 3 and 5. | 3,5-dimethyluracil |
| 3-methyluracil | A pyrimidone that is uracil with a methyl group at position 3. | 3-methyluracil |
| 3-methylxanthine | A 3-methylxanthine tautomer where the imidazole proton is located at the 9-position. | 3-methyl-7H-xanthine; 3-methyl-9H-xanthine |
| 3-methylxanthine | A 3-methylxanthine tautomer where the imidazole proton is located at the 7-position. | 3-methyl-7H-xanthine; 3-methyl-9H-xanthine |
| 3,3-dimethylglutarate | An alpha,omega-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position. | 3,3-dimethylglutaric acid |
| 3,3'-neotrehalosadiamine | An amino disaccharide consisting of alpha- and beta-D-kanosaminyl residues joined by a (1<->1)-linkage. | 3,3'-neotrehalosadiamine |
| 3,4-dihydroxyacetophenone | | 3,4-dihydroxyacetophenone; 3',4'-dihydroxyacetophenone |
| 3,4-dihydroxyphenylethanol | A member of the class of catechols that is benzene-1,2-diol substituted by a 2-hydroxyethyl group at position 4. Isolated from Olea europaea, it exhibits antioxidant and antineoplastic activities. | hydroxytyrosol |
| 3,4-dihydroxyphenylglycol | A tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position. | 3,4-dihydroxyphenylethyleneglycol |
| 3,4-dihydroxyphenylpyruvic acid | A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group. | 3,4-dihydroxyphenylpyruvic acid |
| 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | A monosaccharide derivative that consists of 4-(hydroxymethyl)-2,6-dimethoxyphenol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii it exhibits cytotoxic activity. | 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside |
| 3,7-dimethoxy-5,3',4'-trihydroxyflavone | A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. | 3',4',5-trihydroxy-3,7-dimethoxyflavone |
| 3,7-dimethyluric acid | An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7. | 3,7-dimethyluric acid |
| 3'-cmp | A cytidine 3'-phosphate compound with a monophosphate group at the 3'-position. | 3'-CMP |
| 3'-o-methylepicatechin | | 3'-O-methylepicatechin |
| 3'-o-methylguanosine | Guanosine with the hydrogen on the hydroxyl at position C-3' substituted with a methyl group. | 3'-O-methylguanosine |
| 3',4',7-trihydroxyisoflavone | A 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. | 3',4',7-trihydroxyisoflavone |
| 3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic, anticholinergic and antiserotonergic activities. | zhankuic acid B |
| 3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by hydroxy groups at positions 3 and 12, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha,12alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity. | zhankuic acid C |
| 4-amino-2-methoxypyrimidine | Pyrimidine substituted with a methoxy group at position C-2 and an amine group at C-4. | 2-O-methylcytosine |
| 4-aminophenol | An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. | 4-aminophenol |
| 4-butyrolactone | A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | gamma-butyrolactone |
| 4-deoxypyridoxine | A pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5. | 4-deoxypyridoxine |
| 4-formylaminooxyvinylglycine | | 2-amino-4-formylaminooxy-but-3E-enoic acid |
| 4-hydroxy-5-methyl-3(2h)-furanone | A member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3. | 4-hydroxy-5-methyl-3-furanone |
| 4-hydroxycyclophosphamide | A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. | 4-hydroxycyclophosphamide |
| 4-hydroxydebrisoquin | An isoquinoline that is 3,4-dihydroisoquinoline bearing amidino and hydroxy substituent at positions 2 and 4 respectively. | 4-hydroxydebrisoquin |
| 4-hydroxyestradiol | A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. | 4-hydroxy-17beta-estradiol |
| 4-hydroxymandelic acid | A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. | 4-hydroxymandelic acid |
| 4-methylhippuric acid | An N-acylglycine in which the acyl group is specified as 4-methylbenzoyl. | p-methylhippuric acid |
| 4-methylhistamine | An aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. | 4-methylhistamine |
| 4-nitrososulfamethoxazole | A sulfonamide compound having a 4-nitrosophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. | nitrososulfamethoxazole |
| 4-octylphenol | A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. | 4-octylphenol |
| 4-oxopentanal | A ketoaldehyde that is pentanal substituted by an oxo group at position 4. | 4-oxopentanal |
| 4-sulfocatechol | A benzene ring substituted with a sulphonic acid group at position C-1, and hydroxy groups at C-3 and C-4. | 3,4-dihydroxybenzenesulfonic acid |
| 4-trifluoromethylaniline | A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. | 4-trifluoromethylaniline |
| 4,5-dimethyl-3-hydroxy-2(5h)-furanone | | sotolone |
| 4'-demethylpodophyllotoxin | An organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. | 4'-demethylpodophyllotoxin |
| 4'-o-methylepigallocatechin | | 4'-O-methylepigallocatechin |
| 4',7-dihydroxyflavone | A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7. | 4',7-dihydroxyflavone |
| 5-aminonicotinic acid | An aminonicotinic acid in which the amino group is situated at position 5 of the pyridine ring. | 5-aminonicotinic acid |
| 5-formylcytosine | A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group. | 5-formylcytosine |
| 5-hydroxypipecolic acid | A piperidinemonocarboxylic acid that is pipecolic acid with a hydroxy substituent at position 5. | 5-hydroxypipecolic acid |
| 5-hydroxytryptoline | | 6-Hydroxytetrahydro-beta-carboline |
| 5-methoxytryptophan | An L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5. | 5-methoxy-L-tryptophan zwitterion; 5-methoxytryptophan |
| 5-methylpyrazole-3-carboxylic acid | A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. | 5-methyl-pyrazole-3-carboxylic acid |
| 5-o-methylembelin | A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. | 5-O-methyl embelin |
| 5,6-dihydrothymine | A pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. | 5,6-dihydrothymine |
| 5,7,3'-trihydroxy-3,4'-dimethoxyflavone | A dimethoxyflavone that is the 3,4'-dimethyl ether derivative of quercetin. Isolated from Combretum quadrangulare, it exhibits antineoplastic activity. | quercetin 3,4'-dimethyl ether |
| 6-aminonicotinic acid | An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring. | 6-aminonicotinic acid |
| 6-hydroxymelatonin | A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. | 6-hydroxymelatonin |
| 6-ketoprostaglandin e1 | A prostaglandin E that is prostaglandin E1 bearing a keto substituent at the 6-position. | 6-oxoprostaglandin E1 |
| 6-methyluracil | A pyrimidone that is uracil with a methyl group at position 6. | 6-methyluracil |
| 6-O-feruloylcatalpol | | 6-O-feruloylcatalpol |
| 6-pentylpyrone | | 6-n-Pentyl-alpha-pyrone |
| 6-tuliposide a | A 6-O-acyl-D-glucose that is the 6-O-(4-hydroxy-2-methylenebutanoyl) derivative of D-glucopyranose. | 6-tuliposide A |
| 6,6'-bieckol | A phlorotanin that is 1,1'-bioxanthrene substituted by 3,5-dihydroxyphenoxy groups at position 6 and 6' and hydroxy groups at positions 2, 2', 4, 4', 7, 7', 9 and 9' respectively. It is isolated from an edible marine brown alga Ecklonia cava and exhibits antioxidant activity. | 6,6'-bieckol |
| 6,7,4'-trihydroxyisoflavone | A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6. | 4',6,7-trihydroxyisoflavone |
| 7-amino-4-hydroxy-2-naphthalenesulfonic acid | An aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. | 7-amino-4-hydroxy-2-naphthalenesulfonic acid |
| 7-deacetylgedunin | A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. | 7-deacetylgedunin |
| 7-hydroxyisoflavone | The simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. | 7-hydroxyisoflavone |
| 7-methoxyheptaphylline | | 7-Methoxyheptaphylline |
| 7-methyladenine | Adenine substituted with a methyl group at position N-7. | 7-methyladenine |
| 7-methylguanosine | A positively charged methylguanosine in which a single methyl substituent is located at position 7. | 7-methylguanosine |
| 7-methylinosine | A positively charged methylinosine in which a single methyl substituent is located at position 7 on the hypoxanthine ring. | 7-methylinosine |
| 7-phloroeckol | A phlorotannin that is eckol in which the hydroxy group at position 7 is replaced by a 2,4,6-trihydroxyphenoxy group. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. | 7-phloroeckol |
| 7,3'-dihydroxy-4'-methoxyisoflavone | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position. | calycosin |
| 7,4'-dihydroxy-3'-methoxyisoflavone | A member of the class of 7-hydroxyisoflavones that is 7,4'-dihydroxyisoflavone substituted by a methoxy group at position 3'. It is isolated from the heart woods of Maackia amurensis subsp buergeri and Dalbergia louveli and exhibits antiplasmodial ativity. | 7,4'-dihydroxy-3'-methoxyisoflavone |
| 7,8-dihydroneopterin | A neopterin where positions C-7 and C-8 have been hydrogenated. | 7,8-dihydroneopterin |
| 7,8-dihydroxyflavanone | A dihydroxyflavanone with hydroxy substituents at positions 7 and 8. Isolated from the seeds of Alpinia katsumadai, it acts as a an inhibitor for Jun-Fos-DNA complex formation and exhibits antineoplastic activity. | 7,8-dihydroxyflavanone |
| 8-hydroxymanzamine a | An alkaloid that is manzamine A with a hydroxy substituent at position 8. Isolated from Pachypellina and Acanthostrongylophora, it exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26). | 8-hydroxymanzamine A |
| 9-hydroxy-10,12-octadecadienoic acid | | 9-HODE; alpha-dimorphecolic acid |
| 9-methoxycanthin-6-one | An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. | 9-methoxycanthin-6-one |
| 9-methyladenine | Adenine substituted with a methyl group at position N-9. | 9-methyladenine |
| 9-oxo-10,12-octadecadienoic acid | An oxooctadecadienoic acid that consists of 10E,12E-octadecadienoic acid with the oxo substituent located at position 9. | 9-oxo-10E,12E-ODE |
| a-factor (streptomyces) | A butan-4-olide that is gamma-butyrolactone with a 6-methylheptanoyl substituent at position 3 and a hydroxymethyl substituent at position 4 (the 3R,4R-stereoisomer). | (3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one |
| abyssinone v | A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7 and 4' and prenyl groups at positions 3' and 5' respectively. | abyssinone V |
| acanthoside b | | (+)-syringaresinol beta-D-glucoside |
| acetic anhydride | An acyclic carboxylic anhydride derived from acetic acid. | acetic anhydride |
| acetoacetic acid | A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. | acetoacetic acid |
| acetoin | A methyl ketone that is butan-2-one substituted by a hydroxy group at position 3. | acetoin |
| acetylisoniazid | A carbohydrazide resulting from the formal condensation of the carboxy group of isonicotinic acid with hydrazine and subsequent acetylation of the monosubstituted nitrogen atom. | N'-acetylisoniazid |
| acetylleucine | The N-acetyl derivative of L-leucine. | N-acetyl-L-leucine |
| acivicin | An L-alpha-amino acid that is L-alanine in which the methyl group is replaced by a (5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl group. A glutamine analogue antimetabolite, it interferes with glutamate metabolism and several glutamate-dependent synthetic enzymes. It is obtained as a fermentation product of Streptomyces sviceus bacteria. | acivicin |
| aclacinomycin | An anthracycline that is aklavinone having an alpha-L-rhodosaminyl residue attached at position 4 via a glycosidic linkage. | aclacinomycin T zwitterion; aclacinomycin T |
| acronine | An alkaloid antineoplastic agent isolated from Acronychia baueri. | acronycine |
| acrylic acid | A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. | acrylic acid |
| actein | | Actein |
| aerothionin | | aerothionin |
| afimoxifene | A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. | afimoxifene |
| agathisflavone | A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings. | agathisflavone |
| ageladine a | An imidazopyridine that is 1H-imidazo[4,5-c]pyridin-2-amine substituted by a 4,5-dibromo-1H-pyrrol-2-yl group at position 4. It is an alkaloid isolated from a marine sponge Agelas nakamurai and acts as an inhibitor of the matrix metalloproteinases, the key enzymes involved in tumour growth, migration, angiogenesis, invasion and metastasis. | ageladine A |
| aglafoline | A heterotricyclic compound based on a 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a and methoxy groups at C-6 and C-8. A platelet aggregation inhibitor found in Aglaia elliptifolia and Aglaia odorata. | aglafolin |
| aglucovancomycin b | A peptide antibiotic that is vancomycin lacking the disaccharide moiety. | vancomycin aglycone zwitterion; vancomycin aglycone |
| ainsliadimer a | A sesquiterpene lactone isolated from the whole plants of Ainsliaea macrocephala; exhibits inhibitory activity against production of nitric oxide (NO). | ainsliadimer A |
| alanyl-alanyl-alanine | A tripeptide composed of three L-alanine units joined by peptide linkages. | Ala-Ala-Ala |
| alanylglutamine | A dipeptide formed from L-alanyl and L-glutamine residues. | Ala-Gln zwitterion; Ala-Gln |
| alanylglycine | A dipeptide formed from L-alanyl and glycine residues. | Ala-Gly zwitterion; Ala-Gly |
| alanylphenylalanine | A dipeptide formed from L-alanyl and L-phenylalanine residues. | Ala-Phe |
| alanylproline | A dipeptide composed of L-alanine and L-proline joined by a peptide linkage. | Ala-Pro zwitterion; Ala-Pro |
| alanyltyrosine | A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage. | Ala-Tyr |
| alanyltyrosine | A dipeptide formed from L-tyrosine and L-alanine residues. | Tyr-Ala |
| albonoursin | A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which the two hydrogen at position 3 and those at position 6 are replaced by benzylidene and isobutylidene groups (the 3Z,6Z-geoisomer). | albonoursin |
| alitretinoin | A retinoic acid in which the exocyclic double bonds have 7E,9Z,11E,13E geometry. | 9-cis-retinoic acid |
| alloin | A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9S diastereoisomer). | aloin A |
| allopurinol riboside | A nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position. | allopurinol riboside |
| alloxan | A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups. | alloxan |
| allyl isothiocyanate | An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. | allyl isothiocyanate |
| allylthiourea | A thiourea with a prop-2-enyl group attached to one of the amines. | allylthiourea |
| alpha bitter acid | An optically active cyclic ketone consisting of 3,5,6-trihydroxycyclohexa-2,4-dien-1-one bearing two 3-methylbut-2-en-1-yl substituents at positions 4 and 6 as well as a 3-methylbutanoyl group at the 2-position. | humulone |
| alpha-aspartylalanine | A dipeptide formed from L-alpha-aspartyl and L-valine residues. | Asp-Ala |
| alpha-glutamyltryptophan | A dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage. | Glu-Trp |
| alpha-glutamyltryptophan | A dipeptide formed from L-tryptophan and L-glutamic acid residues. | Trp-Glu |
| alpha-hydroxyglutarate | A 2-hydroxydicarboxylic acid that is glutaric acid in which one hydrogen alpha- to a carboxylic acid group is substituted by a hydroxy group. | 2-hydroxyglutaric acid |
| alpha-hydroxyisocaproic acid | A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome. | 2-hydroxy-4-methylvaleric acid |
| alpha-isopropylmalate | A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group. | 2-isopropylmalic acid |
| alpha-peltatin | An organic heterotetracyclic compound that is 4'-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum. | alpha-peltatin |
| alpha-resorcylic acid | A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5. | 3,5-dihydroxybenzoic acid |
| alpinumisoflavone | | alpinumisoflavone |
| alternariol | A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycotoxin produced by the black mould Alternaria species, which are the most common mycoflora infecting small grain cereals worldwide. | alternariol |
| alx-0600 | A 33-membered polypeptide consisting of His, Gly, Asp, Gly, Ser, Phe, Ser, Asp, Glu, Met, Asn, Thr, Ile, Leu, Asp, Asn, Leu, Ala, Ala, Arg, Asp, Phe, Ile, Asn, Trp, Leu, Ile, Gln, Thr, Lys, Ile, Thr and Asp residues joined in sequence. A glucagon-like peptide-2 receptor agonist used for the treatment of short-bowel syndrome. | teduglutide |
| amarogentin | A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage. | amarogentin |
| aminocaproic acid | An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator. | 6-aminohexanoic acid zwitterion; 6-aminohexanoic acid |
| aminoethylphosphonic acid | A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. | (2-aminoethyl)phosphonic acid zwitterion; (2-aminoethyl)phosphonic acid |
| ammonium hydroxide | An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. | ammonia |
| ampelopsin | An optically active form of dihydromyricetin having (2R,3R)-configuration. | (+)-dihydromyricetin |
| amyl acetate | An acetate ester of pentanol. | pentyl acetate |
| ancistroealaine a | An isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 4,5-dimethoxy-7-methylnaphthalen-1-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities. | ancistrotanzanine B |
| andrographolide | A labdane diterpenoid isolated from the leaves and roots of Andrographis paniculata that exhibits anti-HIV, anti-inflammatory and antineoplastic properties. | andrographolide |
| androsterone glucuronide | A steroid glucosiduronic acid having androsterone as the steroid component. | androsterone 3-glucosiduronic acid |
| annomontine | An alkaloid that is beta-carboline substituted at position C-1 by a 2-aminopyrimidin-4-yl moiety. An antiparasitic agent found in Annona montana and Annona foteida. | annomontine |
| antcin a | | antcin A |
| antcin k | | antcin K |
| antrocamphin a | A methoxybenzene that is 1,2,5-trimethoxy-3-methylbenzene substituted by a 3-methylbut-3-en-1-yn-1-yl group at position 4. It is isolated from Antrodia camphorata and exhibits anti-inflammatory activity. | antrocapmphin A |
| ap 10 | | 14-Deoxy-11,12-didehydroandrographolide |
| apigenin | A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells. | apigenin |
| apigetrin | A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | apigenin 7-O-beta-D-glucoside |
| apiole | | Apiole |
| apratoxin a | An aprotoxin having the common aprotoxin cyclodepsipeptide skeleton where the isoleucyl residue carries an N-methyl substituent and the side-chain adjacent to the lactone is tert-butyl. | apratoxin A |
| arabinofuranosyluracil | | arauridine |
| araloside a | | Chikusetsusaponin-IV |
| arecoline | A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. | arecoline |
| arginyl-glutamine | A dipeptide formed from L-arginyl and L-glutamine residues. | Arg-Gln |
| arginyllysine | A dipeptide formed from L-arginyl and L-leucine residues. | Arg-Lys |
| arglabin | An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. | arglabin |
| aristolochic acid c | An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. | aristolochic acid C |
| aristolochic acid D | An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10. | aristolochic acid D |
| aristolochic acid i | An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. | aristolochic acid A |
| aristolochic acid ii | An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. | aristolochic acid B |
| arisugacin | An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase. | arisugacin A |
| arjunolic acid | A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). Isolated from Symplocos lancifolia and Juglans sinensis, it exhibits antioxidant and antimicrobial activities. | arjunolic acid |
| aromadedrin | A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. | (+)-dihydrokaempferol |
| aromaticin | A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity. | aromaticin |
| artemisic acid | A monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. | (+)-artemisinic acid |
| artocarpin lectin | A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 2', and 4', a methoxy group at position 7, a prenyl group at position 3 and a (1E)-3-methylbut-1-enyl group at position 6. Isolated from Artocarpus heterophyllus and Artocarpus integrifolia, it exhibits antineoplastic activity. | artocarpin |
| ascorbigen | An indolyl carbohydrate that consists of (3aS,6S,6aR)-3,3a,6-trihydroxy-3-tetrahydrofuro[3,2-b]furan-2-one in which position 3 is substituted by an indol-3-ylmethyl group. Formed from indole-3-carbinol and ascorbic acid in brassica vegetables. | ascorbigen |
| asiatic acid | A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated from Symplocos lancifolia and Vateria indica and exhibits anti-angiogenic activity. | asiatic acid |
| asimilobine | | R-(-)-asimilobine |
| aspartylglutamate | A dipeptide formed from L-alpha-aspartyl and L-glutamic acid residues. | Asp-Glu |
| aspartylglycine | A dipeptide composed of L-aspartic acid and glycine joined by a peptide linkage. | Asp-Gly |
| aspartyllysine | A dipeptide formed from L-alpha-aspartyl and L-lysine residues. | Asp-Lys |
| asperuloside | A iridoid monoterpenoid glycoside isolated from Galium verum. | asperuloside |
| astringin | A stilbenoid that is piceatannol substituted at position 3 by a beta-D-glucosyl residue. | trans-astringin |
| atractylenolide iii | | Atractylenolide III |
| aucubin | | aucubin |
| australifungin | A carbobicyclic compound that is 4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one substituted by hydroxy groups at positions 2, 5 and 8, a (2Z)-3-hydroxyprop-2-enoyl group at position 4, methyl groups at positions 4 and 7 and a 2R-octan-2-yl group at position 3 (the 4S,4aR,5S,7R,8R,8aS stereoisomer). It is isolated from the fermentation extracts of Sporormiella australis and exhibits antifungal activity by interfering with the fungal lipid metabolism. | australifungin |
| avenacoside b | A steroid saponin obtained from grain and leaves of oats (Avena sativa) that is nuatigenin in which the hydroxy group at position 26 is converted to its beta-D-glucoside and in which the hydroxy group at position 3 is converted into its methyl alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside derivative. | avenacoside B |
| aviprin | | oxypeucedanin hydrate |
| azaserine | A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species. | azaserine |
| batzelladine a | A carboxylic ester obtained by the formal condensation of (2aS,3S,4R,7R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylic acid with the hydroxy group of 4-carbamimidamidobutyl (3R)-3-(9-hydroxynonyl)-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate. Isolated from a bright red Caribbean sponge, Batzella, it has potential anti-HIV activity. | batzelladine A |
| bellidifolin | A member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. | bellidifolin |
| benzocyclobutene | A carbobicyclic compound that is benzene fused to a cyclobutane ring. | benzocyclobutene |
| benzyl acetate | The acetate ester of benzyl alcohol. | benzyl acetate |
| benzyl alcohol | An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. | benzyl alcohol |
| berberine | | berberine |
| bergamottin | | bergomottin |
| bergenin | | Bergenin |
| beta-lipotropin, gln(9)- | A crown compound that is enterobactin in which the pro-R hydrogens at positions 2, 6 and 10 of the trilactone backbone are replaced by methyl groups, and in which a glycine spacer separates the trilactone backbone from each of the catecholamide arms. It is the endogenous siderophore of Bacillus subtilis, used for the acquisition of iron. | corynebactin |
| beta-methylcrotonylglycine | An N-acylglycine in which the acyl group is specified as 3-methylbut-2-enoyl. | 3-methylcrotonyl glycine |
| betulin | A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. | betulin |
| betulone | | betulone |
| bevirimat | A pentacyclic triterpenoid obtained by the formal condensation of 2,2-dimethylsuccinic acid with the 3-hydroxy group of betulinic acid. It is isolated from the Chinese herb Syzygium claviflorum. The first in the class of HIV-1 maturation inhibitors to be studied in humans, bevirimat was identified as a potent HIV drug candidate and several clinical trials were conducted, but development into a new drug was plagued by numerous resistance-related problems. | bevirimat |
| bielschowskysin | A diterpenoid that is isolated from Pseudopterogorgia kallos and exhibits antimalarial and anticancer activity. | bielschowskysin |
| biotin sulfone | A member of the class of biotins that is biotin sulfoxide with a sulfone group replacing the sulfoxide. | biotin sulfone |
| bis(4-hydroxyphenyl)sulfone | A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. | 4,4'-sulfonyldiphenol |
| bisdemethoxycurcumin | A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. | bisdemethoxycurcumin |
| bleomycin | | bleomycin A2 |
| brartemicin | A glycosyl glycoside derivative that consists of alpha,alpha-trehalose substituted at positions 6 and 6' by O-2,4-dihydroxy-6-methylbenzoyl groups. It is isolated from the culture broth of actinomycete, Nonomuraea, and has antitumor activity. | brartemicin |
| brevianamide f | A pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione bearing an indol-3-ylmethyl substituent at position 3 (the 3S,8aS-diastereomer, obtained by formal cyclocondensation of L-tryptophan and L-proline). | brevianamide F |
| bromophycolide a | A diterpenoid that is a macrolide isolated from the Fijian red alga Callophycus serratus. It has been found to exhibit moderate cytotoxicity against several human tumour cell lines via specific apotopic cell death. It also displays anti-HIV, antibacterial, antifungal and antimalarial activity. | bromophycolide A |
| butyl acetate | The acetate ester of butanol. | butyl acetate |
| butylidenephthalide | A gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. | (Z)-3-butylidenephthalide |
| butyrylcarnitine | An optically active form of O-butanoylcarnitine having L-configuration. | O-butanoyl-L-carnitine |
| caffeic acid phenethyl ester | An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | phenethyl caffeate |
| calceolarioside b | | Calceolarioside B |
| calcifediol | A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. | calcidiol |
| calcitriol | A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. | calcitriol |
| calicheamicin gamma(1)i | A calcheamicin in which contains 3-O-methyl-alpha-L-rhamnosyl, 2,6-dideoxy-4-thio-beta-D-ribo-hexopyranosyl, and 4-amino-4,6-dideoxy-2-O-[2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl]-alpha-L-idopyranose units and in which the aromatic ring contains an iodo substituent. | calicheamicin gamma1(I) |
| callipeltin a | A 10-membered cyclodepsipeptide containing four amino acids in the L- configuration, Ala, Leu, Thr (2 residues); one (Arg) in the D-configuration; two N-methyl amino acids, N-MeAla and N-MeGln; a methoxy tyrosine, a 3, 4-dimethyl-L-glutamine, and a 4-amino-7-guanidino-2,3 dihydroxypentanoic acid (AGDHE), formally derived from L-Arg. It is obtained from the shallow water sponge Callipelta and has been found to show activity against HIV virus. | callipeltin A |
| camalexin | An indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. | camalexin |
| canthin-6-one | An indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. | canthin-6-one |
| captax | 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. | 1,3-benzothiazole-2-thiol |
| carbendazim | A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. | carbendazim |
| carbon monoxide | A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | carbon monoxide |
| caribenol a | A terpene lactone that is 3,4,5,5a,6,7,7a,10,10a,10b-decahydro-2H-1-oxabenzo[cd]cyclopenta[h]azulen-2-one substituted by a hydroxy group at position 10b and methyl groups at positions 3, 6, 9 and 10a. It is isolated from the West Indian gorgonian octocoral Pseudopterogorgia elisabethae and exhibits antitubercular and antimalarial activity. | caribenol A |
| caryophyllene | A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. | (-)-beta-caryophyllene |
| caryophyllene oxide | | caryophyllene oxide |
| castanospermine | A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer). | castanospermine |
| catalpol | | catalpol |
| catechin gallate | A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin. | (+)-catechin-3-O-gallate |
| celastrol | A pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM). | celastrol |
| cellobionic acid | A disaccharide consisting beta-D-glucosyl and D-gluconic acid residues joined by a (1->4)-linkage. | cellobionic acid |
| cephalostatin i | | Cephalostatin 1 |
| ceratamine a | An organic heterobicyclic compound, which is imidazo[4,5-d]azepin-5(6H)-one substituted by a 3,5-dibromo-4-methoxybenzyl group at position 4, a methyl group at position 6 and a methylamino group at position 2. It is an antimitotic alkaloid isolated from the marine sponge Pseudoceratina. | ceratamine A |
| cerberin | A cardenolide glycoside that is the 2'-acetyl derivative of neriifolin. | cerberin |
| cetyl palmitate | A palmitate ester resulting from the formal condensation of palmitic acid with palmityl alcohol. It is used as a thickener and emollient in cosmetics. | palmityl palmitate |
| chaetominine | An organic heterotetracyclic compound that consists of 4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione substituted by a hydroxy group at position 5, a methyl group at position 2 and a 4-oxoquinazolin-3(4H)-yl group at position 4 (the 2S,4R,5aS,9cS stereoisomer). It is a cytotoxic alkaloid isolated from the endophytic fungus Chaetomium. | chaetominine |
| chikusetsu saponin iva | | Chikusetsusaponin-IVa |
| chloranil | A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | tetrachloro-1,4-benzoquinone |
| chlorpromazine n-oxide | An organochlorine compound that is chlorpromazine in which the acyclic tertiary amino group has been converted into the corresponding N-oxide. | chlorpromazine N-oxide |
| cholest-5-en-3-one | A 3-oxo Delta(5)-steroid that is cholesterol in which the alcoholic hydroxy group has been oxidised to the corresponding ketone. | cholest-5-en-3-one |
| chrysoeriol | The 3'-O-methyl derivative of luteolin. | 4',5,7-trihydroxy-3'-methoxyflavone |
| ciguatoxins | A ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered rings and a spiro-fused five-membered ring. A commonly encountered fish toxin. | ciguatoxin CTX1B |
| ciliatamide a | A lipopeptide that contains N-methylphenylalanine and lysine as the amino acid residues linked to a dec-9-enoyl moiety via an amide linkage (the R,R stereoisomer). It is isolated from the deep sea sponge Aaptos ciliata and exhibits antileishmanial activity. | ciliatamide A |
| cinchonidine | 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. | cinchonidine |
| cinchonine | Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. | cinchonine |
| cinnamoylglycine | An N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl). | N-cinnamoylglycine |
| cis-3-hexenyl acetate | An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. | (3Z)-hex-3-en-1-yl acetate |
| citronellal | A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. | citronellal |
| clausine e | | Clausine E |
| cleomiscosin a | An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity. | cleomiscosin A |
| complestatin | A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | chloropeptin II; isocomplestatin |
| complestatin | A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | chloropeptin II; isocomplestatin |
| concanamycin a | A concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group. | concanamycin A |
| confertin | A pseudoguaianolide that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by an oxo group at position 5, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. | confertin |
| conidendrin | | alpha-Conidendrin |
| convallatoxin | A cardenolide glycoside that consists of strophanthidin having a 6-deoxy-alpha-L-mannopyranosyl (L-rhamnosyl) group attached at position 3. | convallatoxin |
| coprine | A non-proteinogenic L-alpha-amino acid that is L-glutamine in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-hydroxycyclopropyl group. Found in the ink-cap mushroom, Coprinus atramentarius, it causes an unpleasant hypersensitivity to alcohol (the 'disulfiram effect'). | coprine |
| coptisine | | coptisine |
| cornexistin | A cyclic dicarboxylic anhydride that is 5,6,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3(4H)-dione substituted by an ethylidene group at position 9, hydroxy groups at position 5 and 8, a propyl group at position 4 and an oxo group at position 6. | 14-dihydroxycornestin |
| corosolic acid | | corosolic acid |
| corynoline | A benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. | corynoline |
| corynoxine | | Corynoxine |
| corynoxine b | | Corynoxine B |
| costunolide | A germacranolide with anthelminthic, antiparasitic and antiviral activities. | costunolide |
| coumaran | A member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. | 2,3-dihydrobenzofuran |
| croomine | | croomine |
| cupressuflavone | A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-8 of the two chromene rings respectively. Isolated from Cupressus sempervirens and Juniperus occidentalis, it exhibits free radical scavenging and antielastase activities. | cupressuflavone |
| curcumin | A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | curcumin |
| cyanidin | An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. | cyanidin cation |
| cyanidin 3-o-beta-d-glucopyranoside | An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. | cyanidin 3-O-beta-D-glucoside |
| cyclic adp-ribose | A cyclic purine nucleotide that is synthesised from NAD+ by ADP-ribosyl cyclase; acts as an agonist at ryanodine receptors. | cyclic ADP-beta-D-ribose |
| cyclo(glycyltryptophyl) | | Cyclo(glycyltryptophyl) |
| cyclo(l-phe-l-pro) | | cyclo(L-Phe-L-Pro) |
| cyclo(leucyl-phenylalanyl) | A member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by benzyl and isobutyl groups (the 3S,6S-diastereomer). | cyclo(L-phenylalanyl-L-leucyl) |
| cyclo(prolyl-valyl) | | cyclo(L-Pro-L-Val) |
| cyclo(tyrosyl-tyrosyl) | A cyclo(tyrosyl-tyrosyl) in which both stereocentres have L-configuration. Synthesized by Mycobacterium tuberculosis. | cyclo(L-tyrosyl-L-tyrosyl) |
| cycloserine | A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis). | D-cycloserine zwitterion; D-cycloserine |
| cyclosporine | A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. | cyclosporin A |
| cysteinylproline | A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage. | Cys-Pro |
| cytochalasin b | An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. | cytochalasin B |
| cytochalasin e | | Cytochalasin E |
| cytotrienin a | A 21-membered macrocyclic lactam which contains three conjugated double bonds as part of the ring system. It acts as an apoptosis inducer in human leukemia HL-60 cells and is isolated from Streptomyces sp. | cytotrienin A |
| d-biotin-d-sulfoxide | A sulfoxide that is the S-oxide of biotin. | biotin sulfoxide |
| daphnoretin | A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. | daphnoretin |
| davidigenin | A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', and 4' respectively. | davidigenin |
| decursinol | An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). | decursinol |
| dehydroabietic acid | An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. | dehydroabietic acid |
| dehydrocostus lactone | An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. | dehydrocostus lactone |
| dehydroergosterol | A phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- 9,11- and 22,23-positions as well as a 3beta-hydroxy group. | dehydroergosterol |
| delphinidin 3-sambubioside | An anthocyanidin 3-O-beta-D-sambubioside having delphinidin as the anthocyanidin component. | delphinidin 3-O-beta-D-sambubioside |
| delta(9)-tetrahydrocannabinolic acid | A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant. | Delta(9)-tetrahydrocannabinolic acid |
| demethoxycurcumin | A beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. | demethoxycurcumin |
| demethylbellidifolin | A member of the class of xanthones that is xanthone which is substituted by hydroxy groups at positions 1, 3, 5, and 8. A natural product found particularly in Iris nigricans and Gentiana campestris. | bellidin |
| dentatin | | Dentatin |
| deoxyglucose | A 2-deoxy-D-glucose that is D-glucopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. | 2-deoxy-D-glucopyranose |
| deslanoside | A cardenolide glycoside that is lanatoside C with the acetoxy group replaced by a hydroxy group. | deslanoside |
| dexmedetomidine | A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin. | 3',4',5-trihydroxy-3,6,7-trimethoxyflavone |
| dibenzothiophene 5-oxide | A member of the class of dibenzothiophenes that is the 5-oxo derivative of dibenzothiophene. | dibenzothiophene 5-oxide |
| dibenzoylmethane | A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. | dibenzoylmethane |
| dibenzyl disulfide | An organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. | dibenzyl disulfide |
| dibenzyl ether | A benzyl ether in which the oxygen atom is connected to two benzyl groups. | dibenzyl ether |
| dibutyl phthalate | A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. | dibutyl phthalate |
| dichamanetin | | Dichamanetin |
| dicranin | A trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from Dicranum scoparium, it exhibits antibacterial activity and inhibitory activity against arachidonate 15-lipoxygenase. | (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid |
| dieckol | A phlorotannin isolated from a brown alga Ecklonia cava which exhibits antioxidant, hepatoprotective and anticoagulant activities. | dieckol |
| diethyl fumarate | A dieter obtained by the formal condensation of fumaric acid with ethanol. | diethyl fumarate |
| diethyl malate | A malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively. | diethyl malate |
| digoxigenin-mono(digitoxoside) | A steroid saponin that consists of digoxigenin having a digitoxosyl residue attached at position 3. | digoxigenin monodigitoxoside |
| dihydroagarofuran | A eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer). | dihydroagarofuran |
| dihydrobetulinic acid | A pentacyclic triterpenoid that is lupane having a 3beta-hydroxy and 28-carboxy substituents. Isolated from the leaves of Syzygium claviflorum, it exhibits anti-HIV and antileishmanial activity. | dihydrobetulinic acid |
| dihydrodaidzein | A hydroxyisoflavanone that is isoflavanone carrying two hydroxy substituents located at positions 4' and 7. | dihydrodaidzein |
| dihydrosanguinarine | A benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine. | dihydrosanguinarine |
| dihydrouracil | A pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. | 5,6-dihydrouracil |
| dihydroxanthohumol | A member of the class of dihydrochalcones that is the alpha,beta-dihydro derivative of xanthohumol. Isolated from Humulus lupulus, it exhibits inhibition of NO production. | dihydroxanthohumol |
| dihydroxyacetone | A ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones. | dihydroxyacetone |
| Dillapiole | | Dillapiole |
| dimethylamine | A secondary aliphatic amine where both N-substituents are methyl. | dimethylamine |
| dioncophylline a | An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 7-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 4,5-dimethoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antifungal, antimalarial, antineoplastic and molluscicidal activites. | 7-epi-dioncophylline A; dioncophylline A |
| dioncophylline a | | 7-epi-dioncophylline A; dioncophylline A |
| dioncophylline c | An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 5-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of Triphyophyllum peltatum and exhibits antimalarial activity. | dioncophylline C |
| diorcinol | An aromatic ether that is diphenyl ether in which both phenyl groups are substituted at position 3 by a hydroxy group and at position 5 by a methyl group. | diorcinol |
| dioscin | A spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc attached to position 3 of diosgenin via a glycosidic linkage. | dioscin |
| diosgenin | A sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone. | diosgenin |
| diosgenin glucoside | A sterol 3-beta-D-glucoside having diosgenin as the sterol component. | diosgenin 3-O-beta-D-glucoside |
| dipropylacetamide | A fatty amide derived from valproic acid. | valpromide |
| diversonol | | (+)-diversonol |
| dmp 323 | A 1,3-diazepanone ring with two 4-(hydroxymethyl)benzyl groups as substituents at positions N-1 and N-4, two benzyl groups at C-4 and C-7, and two hydroxy groups at C-5 and C-6 respectively. | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one |
| dopamine quinone | A member of the class of 1,2-benzoquinones that is 1,2-benzoquinone in which a hydrogen at para to one of the oxo groups has been replaced by a 2-aminoethyl group. | dopaminoquinone |
| dronabinol | A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. | Delta(9)-tetrahydrocannabinol |
| drymaritin | An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity. | drymaritin |
| dyspropterin | A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6. | dyspropterin |
| ecgonine methyl ester | The O-debenzoyl analogue of cocaine. | ecgonine methyl ester |
| eckol | A phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. | eckol |
| eckstolonol | A phlorotannin that is [1,4]benzodioxino[2,3-a]oxanthrene substituted by hydroxy groups at positions 1, 3, 6, 9 and 11. Isolated from the brown alga Ecklonia stolonifera, it exhibits radical scavenging activity. | eckstolonol |
| eicosa-11,14-dienoic acid, (z,z)-isomer | An icosadienoic acid with double bonds at positions 11 and 14 (both Z). | (11Z,14Z)-icosadienoic acid |
| endocrocin | A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8. | endocrocin |
| englerin a | A guaiane sesquiterpenoid that is isolated from the bark of Phyllanthus engleri, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell growth. | englerin A |
| enmein | | Enmein |
| eoxin c4 | A leukotriene that is the 14R-(S-glutathionyl),15S-hydroxy derivative of (5Z,8Z,10E,12E)-icosa-7,9,11,14-tetraenoic acid. | eoxin C4 |
| epi-maslinic acid | A pentacyclic triterpenoid that is 3alpha-hydroxy epimer of maslinic acid. Isolated from Prunella vulgaris and Isodon japonicus, it exhibits anti-inflammatory activity. | epi-maslinic acid |
| epicatechin gallate | A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. | (-)-epicatechin-3-O-gallate |
| epidermin | A type A lantibiotic that is a tetracyclic 21-amino-acid peptide which contains meso-lanthionine, 3-methyllanthionine, and S-(2-aminovinyl)-D-cysteine. It is obtained from Staphylococcus epidermidis Tue 3298 and exhibits antibiotic activity against many Gram-positive bacteria. | epidermin |
| episilvestrol | An organic heterotricyclic compound that is a 5'''-epimer of silvestrol. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. | epi-silvestrol |
| epothilone a | An epithilone that is epothilone C in which the double bond in the macrocyclic lactone ring has been oxidised to the corresponding epoxide (the 13R,14S diastereoisomer). | epothilone A |
| epsilon-viniferin | A stilbenoid that is the (-)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol. | (-)-trans-epsilon-viniferin |
| ergolide | A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. | ergolide |
| ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer | A 3beta-sterol consisting of an ergostane skeleton with double bonds at 7- and 22-positions. | 5alpha-ergosta-7,22-dien-3beta-ol |
| ergosterol-5,8-peroxide | An ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. | ergosterol peroxide |
| eriodictyol 7-glucuronide | A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2R)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. | (2R)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid |
| esculeoside a | A steroid saponin that is spirosolane-3,23,27-triol in which the hydroxy group at position 23 is acetylated and the hydroxy groups at positions 3 and 27 are glycosylated by lycotetraosyl and a beta-D-glucopyranosyl moieties respectively. Isolated from the fruits of Lycopersicon esculentum, it exhibits cytotoxic activity. | esculeoside A |
| esculin | A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. | esculin |
| essramycin | | Essramycin |
| ethyl 3-hydroxybutyrate | The fatty acid ethyl ester of 3-hydroxybutyric acid. | ethyl 3-hydroxybutyrate |
| ethyl acetate | The acetate ester formed between acetic acid and ethanol. | ethyl acetate |
| ethyl caffeate | | Caffeic acid ethyl ester; ethyl trans-caffeate |
| ethyl caprylate | A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. | ethyl octanoate |
| ethyl decanoate | A fatty acid ethyl ester of decanoic acid. | ethyl decanoate |
| ethyl hexanoate | A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. | ethyl hexanoate |
| ethyl isovalerate | The fatty acid ethyl ester of isovaleric acid. | ethyl isovalerate |
| ethyl lactate | The ethyl ester obtained of 2-hydroxypropanoic acid. | ethyl 2-hydroxypropanoate |
| ethyl laurate | A fatty acid ethyl ester of lauric acid. | ethyl laurate |
| ethyl nonanoate | A fatty acid ethyl ester of nonanoic acid. | ethyl nonanoate |
| ethyl oenanthate | The fatty acid ethyl ester of heptanoic acid. | ethyl heptanoate |
| ethyl propionate | A propanoate ester of ethanol. | ethyl propionate |
| ethylene glycol | A 1,2-glycol compound produced via reaction of ethylene oxide with water. | ethylene glycol |
| etnangien | A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria. | etnangien |
| eugeniin | An ellagitannin isolated from the dried flower buds of Eugenia caryophyllata. It exhibits alpha-glucosidase inhibitory activity and antiviral activity against acyclovir and phosphonoacetic acid (PAA)-resistant herpes simplex virus type 1 (HSV-1) as well as the wild-type HSV-1. | eugeniin |
| eupatilin | A trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3' and C-4' respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. | eupatilin |
| eupolauridine | | Eupolauridine |
| eurycomanone | A quassinoid isolated from Eurycoma longifolia and has been shown to exhibit antineoplastic and antimalarial activties. | eurycomanone |
| euxanthone | A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. | euxanthone |
| exp3174 | A biphenylyltetrazole that is losartan with the hydroxymethyl group at position 5 on the imidazole ring replaced with a carboxylic acid. | losartan carboxylic acid |
| falcarindiol | | falcarindiol |
| farrerol | | farrerol |
| feruloyltyramine | | N-feruloyltyramine |
| fisetin | A 7-hydroxyflavonol with additional hydroxy groups at positions 3, 3' and 4'. | fisetin |
| flavoglaucin | | Flavoglaucin |
| flavokawain b | A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2' and methoxy groups at positions 4' and 6'. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. | flavokawain B |
| flavone | The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. | flavone |
| flazin | | flazin |
| formic acid | The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | formic acid |
| fortimicin a | An amino cyclitol glycoside that is L-chiro-inositol in which the hydroxy groups at positions 1, 4, and 6 are replaced by aminoacetyl)methylamino, amino, and methoxy groups, respectively, and in which the hydroxy group at position 3 is converted to the corresponding 2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranoside. The major component of fortimicin, obtained from Micromonospora olivasterospora. It is administered (as the sulfate salt) by intramuscular injection or intravenous infusion for the treatment of severe systemic infections due to sensitive Gram-negative organisms. | astromicin |
| fr 148083 | A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | 5Z-7-oxozeaenol |
| frenolicin b | | frenolicin B |
| friedelane | A triterpene that is docosahydropicene substituted by 8 methyl groups at positions 2, 2, 4a, 6a, 8a, 9, 12b and 14a. | friedelane |
| fucose | A deoxygalactose that is D-galactopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. | 2-deoxy-D-galactopyranose |
| fumarates | A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) | fumarate(2-) |
| fumonisin b1 | A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. | fumonisin B1 |
| furaldehyde | An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | furfural |
| furostanol i | A spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc attached to position 3 of 26-(beta-D-glucopyranosyloxy)-3beta,22-dihydroxyfurost-5-ene via a glycosidic linkage. Found in several plant species including yams, asparagus and funugreek. | protodioscin |
| galactitol | An optically inactive hexitol having meso-configuration. | galactitol |
| galactose-6-phosphate | The ring-opened aldehydo-form of D-galactose 6-phosphate. | aldehydo-D-galactose 6-phosphate |
| gallocatechol | A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas. | (+)-gallocatechin |
| gambogic acid | | (-)-gambogic acid |
| gamma-resorcylic acid | A dihydroxybenzoic acid having the two hydroxy groups at the C-2 and C-6 positions. | 2,6-dihydroxybenzoic acid |
| Ganodermanontriol | | Ganodermanontriol |
| gardenoside | A cyclopentapyran that is 7-deoxyloganin with a methyl and hydrogen replaced by hydroxy and hydroxymethyl groups at position 7. | gardenoside |
| genkwanin | A monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. | genkwanin |
| ginkgetin | A biflavonoid that is the 7,4'-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. | ginkgetin |
| ginsenoside ro | | Chikusetsusaponin-V |
| girinimbine | | Girinimbine |
| gitaloxin | A cardenolide glycoside that is gitoxin in which the 16beta-hydroxy group has been formylated. | gitaloxin |
| glucoheptonate | A carbohydrate acid that is heptanoic acid substituted by hydroxy groups at C-2, C-3, C-4, C-5, C-6, and C-7. | glucoheptonic acid |
| glutamine | An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-glutamine; major species at pH 7.3. | L-glutamine zwitterion; L-glutamine |
| glutaminyl-glycine | A dipeptide formed from L-glutamine and glycine residues. | Gln-Gly |
| glutamylalanine | A dipeptide formed from L-alpha-glutamyl and L-alanine residues. | Glu-Ala |
| glycine methyl ester | A glycinyl ester obtained by the formal condensation of the carboxy group of glycine with methanol. | methyl glycinate |
| glycochenodeoxycholate-3-sulfate | A steroid sulfate that is the 3-O-sulfo derivative of glycochenodeoxycholic acid. | sulfoglycochenodeoxycholic acid |
| glycolic acid | A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated. | glycolic acid |
| glycyl-histidyl-lysine | A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence. | Gly-His-Lys |
| glycyl-l-phenylalanine | A dipeptide formed from glycine and L-phenylalanine residues. | Gly-Phe zwitterion; Gly-Phe |
| glycylaspartic acid | A dipeptide formed from glycyl and L-aspartic acid residues. | Gly-Asp |
| glycylglutamine | A dipeptide formed from glycine and L-glutamine residues. | Gly-Gln zwitterion; Gly-Gln |
| glycylhistidine | A dipeptide composed of glycine and L-histidine joined by a peptide linkage. | Gly-His zwitterion; Gly-His |
| glycylleucine | A dipeptide composed of glycine and L-leucine joined by a peptide linkage. | Gly-Leu; glycyl-L-leucine zwitterion |
| glycyllysine | A dipeptide formed from glycine and L-lysine residues. | Gly-Lys |
| glycylproline | A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group. | Gly-Pro zwitterion; Gly-Pro |
| glycyltryptophan | A dipeptide formed from glycine and L-tryptophan residues. | Gly-Trp |
| glycyltyrosine | A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. | Gly-Tyr |
| glycyrin | A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. | glycyrin |
| grassypeptolide | A 31-membered macrocyclic cyclodepsipeptide isolated from the cyanobacterium Lyngbya confervoides and has been shown to exhibit antineoplastic activity. | grassypeptolide |
| grayanotoxin i | A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. | grayanotoxin I |
| guanosine monophosphate | A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase. | guanosine 5'-monophosphate |
| halisulfate 1 | | halisulfate 1, (rel)- |
| harmine | A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. | harmine |
| hc toxin | A homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues. | HC toxin |
| helenalin | A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). | helenalin |
| heptaphylline | | Heptaphylline |
| hexadecanamide | A fatty amide that is the carboxamide derived from palmitic acid. | hexadecanamide |
| hexylamine | A 6-carbon primary aliphatic amine. | 1-hexanamine |
| hinokiflavone | A biflavonoid that is apigenin substituted by a 4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy group at position 6. A diflavonyl ether, it is isolated from Rhus succedanea and has been found to possess significant cytotoxic potential. | hinokiflavone |
| hippeastrine | An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. | hippeastrine |
| hirsutine, (16e,20beta)-isomer | | Corynantheidine |
| histidinoalanine | A dipeptide formed from L-histidine and L-alanine residues. | His-Ala zwitterion; His-Ala |
| histidinoalanine | A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Ala. Major species at pH 7.3. | His-Ala zwitterion; His-Ala |
| histidylglycine | A dipeptide formed from L-histidine and glycine residues. | His-Gly |
| histidylleucine | A dipeptide formed from L-histidine and L-leucine residues. | His-Leu zwitterion; His-Leu |
| histidylproline | A dipeptide formed from L-histidine and L-proline residues. | His-Pro zwitterion; His-Pro |
| homoeriodictyol | A trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7. | homoeriodictyol |
| hordatine a | A member of the calss of benzofurans that is a homodimer of para-coumarylagmatine where a hydroxy group of one molecule has reacted across the other molecule's ethene double bond to combine the two molecules and form a furan ring. | hordatine A |
| hydantoin-5-propionic acid | A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. | hydantoin-5-propionic acid |
| hydrastine | | Hydrastine |
| hydrogen sulfide | A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen. | hydrogen sulfide |
| hydroxymethyltolbutamide | A urea that consists of 1-butylurea having a 4-hydroxymethylbenzenesulfonyl group attached at the 3-position. | 4-hydroxytolbutamide |
| hydroxyphenytoin | A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5. | 4-hydroxyphenytoin |
| hydroxysitosterol | A 3beta-hydroxy steroid that is sitosterol substituted by an additional alpha-hydroxy group at position 7. It has been isolated from the roots of Breynia fruticosa. | stigmast-5-ene-3beta,7alpha-diol |
| hygromycin a | | hygromycin A |
| hypotaurine | An aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position. | hypotaurine zwitterion; hypotaurine |
| i-677 | An L-alpha-amino acid that is L-serine in which the hydroxy group at position 3 is converted to the corresponding 2-aminoethyl ether. An antimetabolic antibiotic obtained from Streptomyces reseoviridofuscus. | O-(2-aminoethyl)-L-serine |
| Icariside E4 | | Icariside E4 |
| illimaquinone | | Ilimaquinone |
| imidazol-1-ylacetic acid | An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group. | imidazol-1-ylacetic acid |
| imidazoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. | imidazol-4-ylacetic acid; imidazol-5-ylacetic acid |
| imperatorin | A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. | imperatorin |
| integric acid | An eremophilane sesquiterpenoid with anti-HIV-1 activity. It is isolated from Xylaria sp. MF6254. | integric acid |
| interiotherin b | A lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester side chain. It is isolated from Kadsura interior and has been shown to exhibit anti-HIV activity. | interiotherin B |
| irilone | A hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'. | irilone |
| isoamyl acetate | The acetate ester of isoamylol. | isoamyl acetate |
| isobarbaloin | A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R diastereoisomer). | aloin B |
| isobavachalcone | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'. | isobavachalcone |
| isoferulic acid | A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. | isoferulic acid |
| isohomovanillic acid | A member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. | isohomovanillic acid |
| isoimperatorin | A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. | isoimperatorin |
| isoleucyl-tyrosine | A dipeptide formed from L-isoleucine and L-tyrosine residues. | Ile-Tyr |
| isoleucylvaline | A dipeptide formed from L-isoleucine and L-valine residues. | Ile-Val |
| isoliquiritigenin | A member of the class of chalcones that is trans-chalcone hydroxylated at C-2', -4 and -4'. | isoliquiritigenin |
| isomaltose | A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->6)-linkage. | isomaltose |
| isonaringin | A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | narirutin |
| isopulegol | | isopulegol |
| isorhamnetin 3-o-glucoside | A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. | isorhamnetin 3-O-beta-D-glucopyranoside |
| isorhamnetin-3-o-galactoside | A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue. | isorhamnetin 3-O-beta-D-galactopyranoside |
| isorhyncophylline | | Isorhynchophylline |
| isoschaftoside | A C-glycosyl compound that is apigenin substituted at positions 6 and 8 by alpha-L-arabinopyranosyl and beta-D-glucosyl residues respectively. | isoschaftoside |
| isoscutellarein | A tetrahydroxyflavone that is apigenin with an extra hydroxy group at position 8. | isoscutellarein |
| isovitexin | A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6. | isovitexin |
| jaceosidin | A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. | jaceosidin |
| jolkinolide a | | jolkinolide A |
| jolkinolide b | | jolkinolide B |
| josamycin | A macrolide antibiotic produced by certain strains of Streptomyces narbonensis var. josamyceticus. | josamycin |
| kadsurin | | Kadsurin, (-)- |
| kaempferide | A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. | kaempferide |
| kaempferol 3-O-beta-L-glucopyranoside | A kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage. | kaempferol 3-O-beta-L-glucopyranoside |
| kaempferol 7-o-glucoside | A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | kaempferol 7-O-beta-D-glucopyranoside |
| kaempferol-3-o-rutinoside | A kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme. | kaempferol-3-rutinoside |
| kelampayoside a | | 6)-O-beta-D-glucopyranoside.html>3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside |
| knipholone | An anthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 4 and 6, a methyl group at position 2 and a 3-acetyl-2,6-dihydroxy-4-methoxyphenyl group at position 1. It exhibits antioxidant, cytotoxic and antiplasmodial activities. | knipholone |
| komaroviquinone | A tetracyclic diterpenoid isolated from Dracocephalum komarovii and has been shown to exhibit trypanocidal activity. | komaroviquinone |
| kopsinine | | kopsinine |
| kynuramine | A member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group. | kynuramine |
| lactonamycin | An organic heterohexacyclic compound isolated from the culture broth of Streptomyces rishiriensis. It is an antibiotic with antibacterial activity. | lactonamycin |
| lancifodilactone g | A triterpenoid that is a nortriterpenoid isolated from Schisandra lancifolia and has been shown to exhibit anti-HIV activity. | lancifodilactone G |
| landomycin a | | Landomycin A |
| landomycin d | | Landomycin D |
| lapidilectine b | | lapidilectine B |
| lasiokaurin | | Lasiokaurin |
| latrunculin a | A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes. | latrunculin A |
| latrunculin b | A macrolide consisting of a 14-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica. | latrunculin B |
| latrunculol a | | latrunculol A |
| lauric acid methyl ester | A fatty acid methyl ester of lauric acid. | methyl laurate |
| laurinterol | A sesquiterpenoid isolated from Laurencia intermedia and Aplysia kurodai and has been found to exhibit antibacterial activity, | laurinterol |
| laurolitsine | An aporphine alkaloid that is noraporphine substituted by hydroxy groups at positions 2 and 9 and methoxy groups at positions 1 and 10. Isolated from Litsea glutinosa and Lindera chunii, exhibits inhibitory activity against HIV-1 integrase. | laurolistine |
| leachianone a | A trihydroxyflavanone that is (2S)-flavanone substituted by a lavandulyl group at position 8, hydroxy groups at positions 5, 7 and 4' and a methoxy group at position 2'. Isolated from the roots of Sophora flavescens and Sophora leachiana, it exhibits antineoplastic and antimalarial activity. | leachianone A |
| leuconoxine | | leuconoxine |
| leucyl-alanine | A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. | Leu-Ala |
| leucyl-glycyl-glycine | A tripeptide composed of one L-leucine and two glycine residues joined in sequence. | Leu-Gly-Gly |
| leucyl-leucyl-leucine | A tripeptide formed from three L-leucine residues. | Leu-Leu-Leu |
| leucyl-phenylalanine | A dipeptide formed from L-leucine and L-phenylalanine residues. | Leu-Phe |
| leucylarginine | A dipeptide composed of L-leucine and L-arginine joined by peptide linkages. | Leu-Arg |
| leucylproline | A dipeptide formed from L-leucine and L-proline residues. | Leu-Pro zwitterion; Leu-Pro |
| leucyltyrosine | A dipeptide formed from L-leucine and L-tyrosine residues. | Leu-Tyr |
| leukodopachrome | Indoline substituted with hydroxy groups at C-5 and -6 and a carboxy group at C-2, and with S stereochemistry at C-2. | leucodopachrome |
| levoleucovorin | The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid. | (6S)-5-formyltetrahydrofolic acid |
| licoisoflavone a | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2' and 4' and a prenyl group at position 3'. | licoisoflavone A |
| ligustilide | | (Z)-ligustilide |
| limonin | | limonin |
| linderalactone | | linderalactone |
| liphagal | A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase. | liphagal |
| lipoxin a4 | A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. | lipoxin A4 |
| liriodenine | An oxoaporphine alkaloid that is 4,5,6,6a-tetradehydronoraporphin-7-one substituted by a methylenedioxy group across positions 1 and 2. It is isolated from Annona glabra and has been shown to exhibit antimicrobial and cytotoxic activities. | liriodenine |
| lividomycin | A member of the class of lividomycins that is lividomycin B in which position 4 of the diamino-L-idopyranosyl moiety has been converted into its alpha-D-mannopyranoside. | lividomycin A |
| LL-Z1640-1 | | LL-Z1640-1 |
| loliolide | | loliolide |
| longikaurin a | | Longikaurin A |
| longipinene | The (1R,2S,7R,8R)-enantiomer of alpha-longipinene. | (+)-alpha-longipinene |
| lucidenic acid n | A tetracyclic triterpenoid that is 25,26,27-trinorlanost-8-en-24-oic acid substituted by hydroxy groups at positions 3 and 7 and oxo groups at positions 11 and 15 respectively (the 3beta,5alpha,7beta stereoisomer). Isolated from the fruiting bodies of Ganoderma lucidum, it exhibits cytotoxicity against tumour cells. | lucidenic acid N |
| lupenone | | lupenone |
| luteolin-7-glucuronide | A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position. | luteolin 7-O-beta-D-glucosiduronic acid |
| lycojapodine a | An alkaloid isolated from the club moss Lycopodium japonicum and has been shown to exhibit acetylcholinesterase inhibitory and anti-HIV-1 activity. | lycojapodine A |
| Lyngbic acid | | Lyngbic acid |
| lyoniresinol | A lignan that is tetralin substituted by a 4-hydroxy-3,5-dimethoxy group at position 4, hydroxymethyl groups at positions 2 and 3, methoxy groups at positions 5 and 7 and a hydroxy group at position 6. Isolated from Machilus robusta and Sinocalamus affinis, it exhibits antineoplastic activity. | (+)-lyoniresinol |
| lysicamine | | Lysicamine |
| lysylglutamic acid | A dipeptide formed from L-lysine and L-glutamic acid residues. | Lys-Glu |
| lysylglycine | A dipeptide formed from L-lysine and glycine residues. | Lys-Gly |
| lysylproline | A dipeptide formed from L-lysine and L-proline residues. | Lys-Pro |
| macluraxanthone b | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7, a dimethylallyl group at position 2 and a prenyl group at position 4. Isolated from Maclura tinctoria and Cudrania tricuspidata, it exhibits anti-HIV and antineoplastic activity. | macluraxanthone B |
| maculosin | A homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages. | maculosin |
| Majusculamide AB | | Majusculamide A/B |
| malabaricone c | | Malabaricone C |
| malonyl coenzyme a | The S-malonyl derivative of coenzyme A. | malonyl-CoA |
| maltitol | An alpha-D-glucoside consisting of D-glucitol having an alpha-D-glucosyl residue attached at the 4-position. Used as a sugar substitute. | maltitol |
| maltol | | 3-hydroxy-2-methyl-4-pyrone |
| malvidin | An anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'. | malvidin |
| malvidin-3-glucoside | An anthocyanin cation consisting of malvidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. | malvidin 3-O-beta-D-glucoside |
| malyngamide A | | malyngamide A |
| mammeisin | | Mammea A/AA |
| manassantin b | A lignan isolated from Saururus cernuus and Saururus chinensis and has been shown to exhibit antineoplastic activity. | manassantin B |
| mannitol | The D-enantiomer of mannitol. | D-mannitol |
| mannose | D-Mannose in its six-membered ring form. | D-mannopyranose |
| manoalide | A sesterterpenoid isolated from the marine sponge Luffariella variabilis and which has been shown to exhibit inhibitory activity towards phospholipase A2. | manoalide |
| marineosin a | A macrocycle isolated from a marine sediment-derived actinomycete, Streptomyces sp. It exhibits cytotoxicity against colon tumour cell lines. | marineosin A |
| marineosin b | A macrocycle isolated from a marine sediment-derived actinomycete, Streptomyces sp. A stereoisomer of marineosin A, it exhibits cytotoxicity against colon tumour cell lines. | marineosin B |
| marsupsin | A member of the class of 1-benzofurans that is 1-benzofuran-3(2H)-one, substituted by hydroxy groups at positions 2 and 6, a 4-hydroxybenzyl group at position 2 and a methoxy group at position 4. Isolated from the heartwood of Pterocarpus marsupium, it exhibits antihyperglycemic and antihyperlipidemic activities. | marsupsin |
| masoprocol | The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. | masoprocol |
| maytenonic acid | | Polpunonic acid |
| mequinol | | p-methoxyphenol |
| methionylglutamic acid | A dipeptide formed from L-methionine and L-glutamic acid residues. | Met-Glu |
| methionylglycine | A dipeptide formed from L-methionine and glycine residues. | Met-Gly |
| methionyltryptophan | A dipeptide formed from L-methionine and L-tryptophan residues. | Met-Trp |
| methyl anthranilate | A benzoate ester that is the methyl ester of anthranilic acid. | methyl anthranilate |
| methyl benzoate | A benzoate ester obtained by condensation of benzoic acid and methanol. | methyl benzoate |
| methyl brevifolincarboxylate | An organic heterotricyclic compound that is 1,2,3,5-tetrahydrocyclopenta[c]isochromene substituted by hydroxy groups at positions 7, 8 and 9, oxo groups at positions 3 and 5 and a methoxycarbonyl group at position 1. Isolated from Phyllanthus urinaria and Phyllanthus niruri, it exhibits vasorelaxant activity. | methyl brevifolincarboxylate |
| methyl hippurate | A glycine derivative that is the methyl ester of hippuric acid. | methyl hippurate |
| methyl indole-3-carboxylate | The methyl ester of indole-3-carboxylic acid. | methyl indole-3-carboxylate |
| methyl lactate | A lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol. | methyl 2-hydroxypropionate |
| methyl methanethiosulfonate | A sulfonic acid derivative obtained by condensaton of methanesulfonic acid with methanethiol. | S-methyl methanethiosulfonate |
| methyl octanoate | A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. | methyl octanoate |
| methyl orsellinate | | orsellinic acid methyl ester |
| methyl palmitate | | Methyl palmitate |
| methyl salicylate | A benzoate ester that is the methyl ester of salicylic acid. | methyl salicylate |
| methyl tert-butyl ether | An ether having methyl and tert-butyl as the two alkyl components. | methyl tert-butyl ether |
| methylamphotericin b | The methyl ester of amphotericin B. | amphotericin B methyl ester |
| methylenebis(chloroaniline) | A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. | 4,4'-methylene-bis-(2-chloroaniline) |
| methylguanidine | A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group. | methylguanidine |
| methylimidazoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group. | 1-methyl-4-imidazoleacetic acid |
| migrastatin | A 14-membered macrolide which is isolated from Streptomyces sp.MK929-43F1 and inhibits cell migration of human esophageal cancer EC17 cells and mouse melanona B16 cells. | migrastatin |
| minecoside | | minecoside |
| monanchocidin | | Monanchocidin A, rel- |
| monocerin | | Monocerin |
| monoethyl phthalate | A phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol. | monoethyl phthalate |
| monorden | An antifungal macrolactone antibiotic, obtained from Diheterospora chlamydosporia and Chaetomium chiversii that inhibits protein tyrosine kinase and heat shock protein 90 (Hsp90). | radicicol |
| monotropein | An iridoid monoterpenoid that is 1,4a,7,7a-tetrahydrocyclopenta[c]pyran substituted by a beta-D-glucopyranosyloxy group at position 1, a carboxylic acid group at position 4, and at position 7 by a hydroxy and hydroxymethyl groups respectively (the 1S,4aS,7R,7aS diastereomer). | monotropein |
| morin | A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. | morin |
| moronic acid | A pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group. | moronic acid |
| murrayanine | | Murrayanine |
| my 12-62c | A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2. | 2-heptyl-4-hydroxyquinoline; 2-heptyl-4-quinolone |
| my 12-62c | A monohydroxyquinoline that is 4-hydroxyquinoline bearing an additional heptyl substituent at position 2. | 2-heptyl-4-hydroxyquinoline; 2-heptyl-4-quinolone |
| mycocyclosin | An organic heterotetracyclic compound obtained via intramolecular oxidative aromatic coupling of cyclo(L-tyrosyl-L-tyrosyl). | mycocyclosin |
| mycothiazole | | mycothiazole |
| myriaporone 3 | A member of the class of oxanes isolated from the Mediterranean bryozoan Myriapora truncata and has been shown to exhibit inhibitory activity against murine leukemia cells. | myriaporone 3 |
| myricetin 3-o-glucuronide | A myricetin O-glucuronide that is myricetin with a beta-D-glucosiduronic acid residue attached at the 3-position. | myricetin 3-O-glucuronide |
| myristicin | | myristicin |
| myrocin a | | Myrocin A |
| myrsinoic acid b | A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a 1',5'-dimethyl-1'-hydroxy-4'-hexenyl group at position 2 and a prenyl group at position 7. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity. | myrsinoic acid B |
| n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide | | trans-N-p-coumaroyl tyramine |
| n-acetylcarnosine | A dipeptide that is the N-acetyl derivative of carnosine. | N-acetylcarnosine |
| n-acetylcytidine | Cytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. | N(4)-acetylcytidine |
| n-acetylphenylalanine | The N-acetyl derivative of phenylalanine. | N-acetylphenylalanine |
| n-acetylputrescine | An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine. | N-acetylputrescine |
| n-acetyltryptophan | An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | N-acetyltryptophan |
| n-acetyltryptophan | A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan. | N-acetyl-L-tryptophan |
| n-amyl butyrate | The butyrate ester of pentan-1-ol. | pentyl butyrate |
| n-benzoylalanine | An N-acyl-L-alanine resulting from the formal condensation of L-alanine with the carboxy group of benzoic acid. | N-benzoyl-L-alanine |
| n-benzoylalanine, (dl-ala)-isomer | An N-acylamino acid that is the N-benzoyl derivative of alanine. | N-benzoylalanine |
| n-butyl n-butyrate | A butanoate ester of butan-1-ol. | butyl butanoate |
| n-caproylglycine | An N-acylglycine in which the acyl group is specified as hexanoyl. | N-hexanoylglycine |
| n-carbamoyl-beta-alanine | A beta-alanine derivative that is propionic acid bearing a ureido group at position 3. | N-carbamoyl-beta-alanine |
| n-decyl alcohol | A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. | decan-1-ol |
| n-ethylacetamide | A member of the class of acetamides that is the N-ethyl derivative of acetamide. | N-ethylacetamide |
| n-formylmethionine | A L-methionine derivative in which one of the hydrogens attached to the nitrogen is replaced by a formyl group. | N-formyl-L-methionine |
| n-glycylalanine | A dipeptide formed from glycine and L-alanine residues. | Gly-Ala |
| n-glycylglutamic acid | A dipeptide formed from glycyl and L-glutamic acid residues. | Gly-Glu |
| n-methylacetamide | A monocarboxylic acid amide that is the N-methyl derivative of acetamide. | N-methylacetamide |
| n-methylcorydaldine | | N-methylcorydaldine |
| n-methylnicotinamide | A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. | N-methylnicotinamide |
| n-methyltryptamine | | N-methyltryptamine |
| n-oleoylglycine | A fatty acid derivative that is the 9Z-octadecenoyl derivative of glycine. It is believed to be an intermediate in oleamide biosynthesis. | N-oleoylglycine |
| N-trans-sinapoyltyramine | | N-trans-sinapoyltyramine |
| n,n-dimethylsphingenine | A sphingoid that is sphingosine in which the two amino hydrogens are replaced by methyl groups. | N,N-dimethylsphingosine |
| n'-methyl-2-pyridone-5-carboxamide | A pyridone that is 2-pyridone substituted with a carboxamide group at C-5 and a methyl group at N-1. | N-methyl-6-pyridone-3-carboxamide |
| n(1)-acetylspermidine | An acetylspermidine having the acetyl group at the N1-position. | N(1)-acetylspermidine |
| n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid | A monocarboxylic acid amide obtained by the formal condensation of the terminal amino group of 3-amino-L-alanine with the carboxy group of (2E)-4-methoxy-4-oxobut-2-enoic acid. | N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid |
| n(4)-methylcytosine | A pyrimidone that is cytosine bearing an N(4)-methyl substituent. | N(4)-methylcytosine |
| naadp | A nicotinic acid dinucleotide that is NADP(+) in which the carboxamide group on the pyridine ring is replaced by a carboxy group. | nicotinic acid-adenine dinucleotide phosphate |
| nantenine | | nantenine |
| narciclasine | | Narciclasine |
| naringenin chalcone | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. | 2',4,4',6'-tetrahydroxychalcone |
| naringin | A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | naringin |
| neotuberostemonine | | neotuberostemonine |
| neuroprotectin a | A heterodetic cyclic peptide that is chloropeptin II in which the indole moiety is oxidised to the corresponding 2-oxindole. It is a HIV-1 integrase inhibitor isolated from Streptomyces. | complestatin A |
| niacin | A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. | nicotinic acid |
| niacinamide | A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. | nicotinamide |
| nicotine n-glucuronide | An N-glycosylpyridine that is the N-alpha-D-glucosiduronyl derivative of (S)-nicotine. | (S)-nicotinium N-alpha-D-glucosiduronate |
| nigranoic acid | A tetracyclic triterpenoid that is 3,4-secocycloarta-4(28),24-(Z)-diene substituted by carboxy groups at positions 3 and 26. Isolated from Schisandra henryi and Schisandra propinqua, it exhibits cytotoxic and anti-HIV activities. | nigranoic acid |
| nodosin | | Nodosin |
| norclozapine | A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. | N-desmethylclozapine |
| nordidemnin b | | Nordidemnin B |
| norswertianolin | A beta-D-glucoside that is bellidin in which a beta-D-glucopyranosyl residue is attached at position O-8. A natural product found particularly in Gentiana campestris and Gentiana germanica. | norswertianolin |
| norwogonin | A trihydroxyflavone with the hydroxy groups at positions C-5, -7 and -8. | norwogonin |
| nostocarboline | A member of the class of beta-carbolines that is 9H-beta-carbolin-2-ium substituted by a chloro group at position 6 and a methyl group at position 2. It is isolated from a fresh water cyanobacterium Nostoc 78-12A and acts as an inhibitor of butyrylcholinesterase. | nostocarboline |
| nymphaeol c | A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4', a geranyl group at position 2' and a prenyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. | nymphaeol C |
| o-methylserine | A serine derivative that is L-serine with a methyl group replacing the hydrogen on the hydroxy side chain. | O-methylserine |
| octylamine | An 8-carbon primary aliphatic amine. | octan-1-amine |
| oleandrigenin | A steroid ester that is the 16-acetyl derivative of gitoxigenin. | oleandrigenin |
| oleyl alcohol | A long chain fatty alcohol that is octadecanol containing a double bond located at position 9 (the Z-geoisomer). | (9Z)-octadecen-1-ol |
| olivetolic acid | A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. | olivetolic acid |
| orientin | A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. | orientin |
| oroidin | | Oroidine |
| orotic acid | A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. | orotic acid |
| orsellinic acid | A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. | o-orsellinic acid |
| osthol | | osthole |
| ostruthin | | Ostruthin |
| oxaloacetic acid | An oxodicarboxylic acid that is succinic acid bearing a single oxo group. | oxaloacetic acid |
| oxazolidin-2-one | An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2. | oxazolidin-2-one |
| oxypeucadanin, (r)-(+)-isomer | | (+)-oxypeucedanin |
| p-methoxy-n-methylphenethylamine | A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group. | N,O-dimethyltyramine |
| paclitaxel | A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark. | paclitaxel |
| paeonilide | | Paeonilide |
| paeonol | | Paeonol |
| palbinone | | Palbinone |
| palmitone | A dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group. | hentriacontan-16-one |
| panduratin a | | Panduratin A |
| pantetheine | An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine. | pantetheine |
| papyriflavonol a | A pentahydroxyflavone that is flavone substituted with hydroxy groups at positions 3, 5, 7, 3' and 4' and prenyl groups at positions 6 and 5'. Isolated from Broussonetia papyrifera, it exhibits inhibitory activity against phospholipase A2 and tyrosinase. | papyriflavonol A |
| parkeol | A tetracyclic triterpenoid comprised of a lanostane skeleton which is 3beta-hydroxylated and has double bonds at the 9(11)- and 24-positions. | parkeol |
| patuletin | A trimethoxyflavone that is quercetagetin methylated at position 6. | patuletin |
| pedalitin | A tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3',-4',-5 and 6, and the methoxy group at C-7. It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa. | pedalitin |
| pellitorine | | pellitorine |
| pendolmycin | | Pendolmycin |
| pentabromopseudilin | | pentabromopseudilin |
| peonidin | An anthocyanidin cation that is flavylium bearing four hydroxy substituents at positions 3, 4', 5 and 7 as well as a methoxy substituent at position 3'. | peonidin |
| perfosfamide | A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. | 4-hydroperoxycyclophosphamide |
| perillene | A monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour. | perillene |
| perlolyrine | | perlolyrine |
| petunidin-3-glucoside | An anthocyanin cation that is petunidin substituted at position 3 by a beta-D-glucosyl residue | petunidin 3-O-beta-D-glucoside |
| phaseic acid | | phaseic acid |
| Phe-Tyr | A dipeptide formed from L-phenylalanine and L-tyrosine residues. | Phe-Tyr |
| phellamurin | A member of the class of dihydroflavonols that is (+)-dihydrokaempferol substituted by a prenyl group at position 8 and a beta-D-glucopyranosyl group at position 7 via a glycosidic linkage. Isolated from Phellodendron amurense and Commiphora africana, it exhibits inhibition of intestinal P-glycoprotein. | phellamurin |
| phenacyl bromide | An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2. | phenacyl bromide |
| phenethyl isothiocyanate | An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. | phenethyl isothiocyanate |
| phenmetrazine | A member of the class of morpholines that is morpholine substituted with a phenyl group at position 2 and a methyl group at position 3. | phenmetrazine |
| phenylacetyl-coenzyme a | An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid. | phenylacetyl-CoA |
| phenylalanyl-glycyl-glycine | A tripeptide composed of one L-phenylalanine and two glycine residues joined in sequence. | Phe-Gly-Gly |
| phenylalanyl-valine | A dipeptide formed from L-valine and L-phenylalanine residues. | Val-Phe |
| phenylalanyl-valine | A dipeptide formed from L-phenylalanine and L-valine residues. | Phe-Val |
| phenylalanylalanine | A dipeptide formed from L-phenylalanine and L-alanine residues. | Phe-Ala zwitterion; Phe-Ala |
| phenylalanylarginine | A dipeptide composed of L-phenylalanine and L-arginine joined by a peptide linkage. | Phe-Arg |
| phenylalanylglutamate | A dipeptide formed from L-phenylalanine and L-glutamic acid residues. | Phe-Glu |
| phenylalanylglycine | A dipeptide formed from L-phenylalanine and glycine residues. | Phe-Gly |
| phenylalanylproline | A dipeptide formed from L-phenylalanine and L-proline residues. | Phe-Pro |
| phenylalanylserine | A dipeptide that is the N-(L-phenylalanyl) derivative of L-serine. | Phe-Ser |
| phenylbutazone | A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. | phenylbutazone |
| physcione | A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. | physcion |
| pimeloyl-coenzyme a | An omega carboxyacyl-CoA that is the S-pimeloyl derivative of coenzyme A. | pimeloyl-CoA |
| pinobanksin | A trihydroxyflavanone in which the three hydroxy substituents are located at positions 3, 5 and 7. | pinobanksin |
| pinocembrin | A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. | pinocembrin |
| pinusolide | | pinusolide |
| pipercallosidine | An enamide that is (2E)-N-isobutylhept-2-enamide which is substituted at position 7 by a 3,4-methylenedioxyphenyl group. A natural product found in Piper sarmentosum. | pipercallosidine |
| pivaloylcarnitine | A C5-acylcarnitine in which the acyl group specified is pivaloyl. | O-pivaloylcarnitine |
| platanic acid | A pentacyclic triterpenoid that is 30-norlupan-28-oic acid substituted by a 3beta-hydroxy and an oxo group at position 20. It is isolated from the leaves of Syzygium claviflorum and exhibits anti-HIV activity. | platanic acid |
| platycodin d | | platycodin D |
| platycoside e | | platycoside E |
| plumbagin | A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. | plumbagin |
| polydatin | A stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue. | trans-piceid |
| pomolic acid | | Pomolic acid |
| ponicidin | | Ponicidin |
| porphobilinogen | A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. | porphobilinogen |
| pravastatin | A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. | pravastatin |
| primapterin | A member of the class of biopterins that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 7 respectively. | primapterin |
| primin | A 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position. | primin |
| proanthocyanidin a2 | A proanthocyanidin obtained by the condensation of (-)-epicatechin units. | proanthocyanidin A2 |
| procyanidin b1 | A proanthocyanidin consisting of (-)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a beta-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach. | procyanidin B1 |
| procyanidin b2 | A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. | procyanidin B2 |
| procyanidin b3 | A proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 8' in alpha-configuration. It can be found in red wine, in barley, in beer, in peach or in Jatropha macrantha, the Huanarpo Macho. | procyanidin B3 |
| procyanidin b5 | A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 6' in beta-configuration. It can be found in grape seeds, in Hibiscus cannabinus (kenaf) root and bark, in apple and in cacao. | procyanidin B5 |
| procyanidin C1 | A proanthocyanidin consisting of three (-)-epicatechin units joined by two successive (4beta->8)-linkages. | procyanidin C1 |
| prolyl-serine | A dipeptide formed from L-proline and L-serine residues. | Pro-Ser |
| prolyl-tyrosine | A dipeptide formed from L-proline and L-tyrosine residues. | Pro-Tyr |
| prolylarginine | A dipeptide formed from L-proline and L-arginine residues. | Pro-Arg |
| prolylglutamic acid | A dipeptide formed from L-proline and L-glutamic acid residues. | Pro-Glu |
| prolylisoleucine | A dipeptide formed from L-proline and L-isoleucine residues. | Pro-Ile |
| prolylvaline | A dipeptide formed from L-valine and L-proline residues. | Val-Pro |
| promegestone | | Biyouyanagin A |
| propionyl-coenzyme a | An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of propionic acid. | propionyl-CoA |
| propolin c | A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. | nymphaeol A |
| pros-methylimidazoleacetic acid | An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1-methylimidazol-5-yl group. | 1-methyl-5-imidazoleacetic acid |
| protopanaxatriol | A tetracyclic triterpenoid sapogenin (isolated from ginseng and notoginseng) that is that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions and in which a double bond has been introduced at the 24-25 position. | protopanaxatriol |
| protosappanin a | | protosappanin A |
| protylonolide | A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone. | tylactone |
| proximadiol | | cryptomeridiol |
| prunetin | A hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. | prunetin |
| prunin protein, prunus | A flavanone 7-O-beta-D-glucoside that is (S)-naringenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | naringenin 7-O-beta-D-glucoside |
| Pseudopterosin G-J aglycone | | Pseudopterosin G-J aglycone |
| pseudopteroxazole | | Pseudopteroxazole |
| pseurotin | A spirocyclic that is 1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione bearing 1,2-dihydroxyhex-3-en-1-yl, methyl, methoxy, benzoyl and hydroxy substituents at positions 2, 3, 8, 8 and 9 respectively. | pseurotin A |
| pulsatilla saponin d | | Pulsatilla saponin D |
| pyochelin | A member of the class of thiazolidines that is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl group. A siderophore that is produced by Pseudomonas aeruginosa (via condensation of salicylic acid and two molecules of cysteine) as a mixture of two easily interconvertible diastereoisomers, pyochelin I (major) and pyochelin II (minor). The enantiomeric compounds, enant-pyochelin, are produced by Pseudomonas fluorescens. | pyochelin |
| pyracrenic acid | | 3beta-O-trans-caffeoylbetulinic acid |
| pyripyropene a | A sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups. | pyripyropene A |
| pyrrole-3-carboxylic acid | A pyrrolecarboxylic acid that is 1H-pyrrole substituted by a carboxy group at position 3. It has been isolated from Penicillium chrysogenum. | pyrrole-3-carboxylic acid |
| quercetin 3-o-glucuronide | A quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. | miquelianin |
| quercetin 3-o-methyl ether | A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position. | 3',4',5,7-tetrahydroxy-3-methoxyflavone |
| quercetin 7-rhamnoside | A quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. | quercetin 7-O-alpha-L-rhamnopyranoside |
| quercimeritrin | A quercetin O-glucoside in which a glucosyl residue is attached at position 7 of quercetin via a beta-glycosidic linkage. | quercetin 7-O-beta-D-glucoside |
| quillaic acid | A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3beta,16alpha stereoisomer). | quillaic acid |
| R-(-)-actinodaphnine | | R-(-)-actinodaphnine |
| raspberry ketone | A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics. | raspberry ketone |
| rediocide a | A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity. | rediocide A |
| respirantin | A cyclodepsipeptide isolated from Streptomyces and Kitasatospora and has been shown to exhibit antimicrobial and antineoplastic activity. | respirantin |
| reynosin | A sesquiterpene lactone of the eudesmanolide group, found particularly in Magnolia grandiflora and Laurus nobilis. | reynosin |
| rhamnetin | A monomethoxyflavone that is quercetin methylated at position 7. | rhamnetin |
| rhizoxin | An macrolide antibiotic isolated from the pathogenic plant fungus Rhizopus microsporus. It also exhibits antitumour and antimitotic activity. | rhizoxin |
| rhodiocyanoside a | A cyanogenic glycoside that is (2Z)-2-methylbut-2-enenitrile attached to a beta-D-glucopyranosyloxy at position 4. Isolated from Rhodiola quadrifida, it exhibits anti-allergic activity. | rhodiocyanoside A |
| rhoifolin | An apigenin derivative having an alpha-(1->2)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. | apigenin 7-O-neohesperidoside |
| Rhynchophylline | | Rhynchophylline |
| ribonolactone | A five-membered form of ribonolactone having D-configuration. | D-ribono-1,4-lactone |
| ribostamycin | An amino cyclitol glycoside that is 4,6-diaminocyclohexane-1,2,3-triol having a 2,6-diamino-2,6-dideoxy-alpha-D-glucosyl residue attached at position 1 and a beta-D-ribosyl residue attached at position 2. It is an antibiotic produced by Streptomyces ribosidificus (formerly S. thermoflavus). | ribostamycin |
| robustaflavone | A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-6 of the chromene ring. Isolated from Thuja orientalis and Rhus succedanea it exhibits antioxidant, cytotoxic and anti-hepatitis B activity. | robustaflavone |
| rocaglamide | An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. | rocaglamide |
| rotenolone | | 12a-hydroxyrotenone |
| rotenone | A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). | rotenone |
| rottlerin | A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis. | rottlerin |
| rubraxanthone | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 6 and 8, a geranyl group at position 1 and a methoxy group at position 2. Isolated from Mesua and Garcinia dioica, it exhibits antibacterial and cytotoxic activities. | rubraxanthone |
| rutin | A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. | rutin |
| rutundic acid | | Rotundic acid |
| s-2-aminoethyl cysteine | A cysteine derivative that is the S-(2-aminoethyl) analogue of L-cysteine; reported to have cytotoxic effects. | L-thialysine |
| s-allylcysteine | An S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. | S-allylcysteine zwitterion; S-allylcysteine |
| s-allylcysteine | An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-allylcysteine. Major species at pH 7.3. | S-allylcysteine zwitterion; S-allylcysteine |
| safrole | A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | safrole |
| salicin | An aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. | salicin |
| salmon calcitonin | A 32-membered heterodetic cyclic peptide comprising the sequence Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asn-Thr-Gly-Ser-Gly-Thr-Pro-NH2 cyclised by a disulfide bridge between the two Cys residues at positions 1 and 7. | calcitonin |
| salutaridine | A morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. | salutaridine |
| salvileucalin b | A diterpenoid with a rearranged neo-clerodane skeleton isolated from Salvia leucantha and has been shown exhibit antineoplastic activity. | salvileucalin B |
| salvinorin a | | salvinorin A |
| sapintoxin d | A phorbol ester consisting of phorbol that is acylated at positions 12 and 13 by 2-(methylamino)benzoyl and acetyl groups respectively. | sapintoxin D |
| saponarin | A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a beta-D-glucosyl residue. | 7-O-(beta-D-glucosyl)isovitexin |
| sappanchalcone | A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4' and a methoxy group at position 2'. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity. | sappanchalcone |
| schweinfurthin f | A stilbenoid isolated from Macaranga alnifolia and has been shown to exhibit cytotoxic activity. | schweinfurthin F |
| schweinfurthin g | A stilbenoid that is the 3-deoxy derivative of vedelianin. Isolated from Macaranga alnifolia, it exhibits cytotoxic activity. | schweinfurthin G |
| scutellarein | Flavone substituted with hydroxy groups at C-4', -5, -6 and -7. | scutellarein |
| selenodiglutathione | A thioselenide in which a selenium atom is attached to the sulfur atoms of two molecules of glutathione. It is an initial metabolite of selenite, SeO3(2-). | selenodiglutathione |
| seryl-histidine | A dipeptide formed from L-serine and L-histidine residues. | Ser-His |
| seryl-proline | A dipeptide formed from L-serine and L-proline residues. | Ser-Pro |
| seselin | | Seselin |
| shamixanthone | A pyranoxanthene that is 2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one bearing hydroxy substituents at positions 1 and 11 as well as a prop-1-en-2-yl group at position 2, a methyl substituent at position 5 and a 3,3-dimethylallyl group at position 8. A secondary metabolite produced by Aspergillus nidulans. | shamixanthone |
| shizukaol B | | shizukaol B |
| shizukaol d | | shizukaol D |
| shizukaol f | | shizukaol F |
| sigmoidin a | A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' and prenyl groups at positions 2' and 5'. Isolated from Erythrina sigmoidea, it exhibits anti-inflammatory and antioxidant activities. | sigmoidin A |
| silvestrol | An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity. | silvestrol |
| silychristin | A flavonolignan isolated from Silybum marianum and has been shown to exhibit inhibitory activities against lipoxygenase and prostaglandin synthetase. | silychristin |
| simalikalactone D | A quassinoid isolated from Quassia amara and Quassia africana. It has been shown to exhibit antimalarial, cytotoxic and antiviral activities. | simalikalactone D |
| sm 1 peptide | An ergot alkaloid produced by the fungus Aspergillus fumigatus that is ergoline which is substituted by a 2-methylbut-3-en-2-yl group at position 2, methyl groups at the 6 and 8beta positions, and by an acetoxy group at the 9beta position. | fumigaclavine C |
| sofosbuvir | A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a carboxy group. | 5-carboxycytosine |
| sophoraflavanone a | A trihydroxyflavanone that is (S)-naringenin substituted by a geranyl group at position 8. Isolated from Macaranga bicolor, it exhibits antibacterial and antineoplastic activities. | sophoraflavanone A |
| sorbitol | The D-enantiomer of glucitol (also known as D-sorbitol). | D-glucitol |
| sphaeropsidin a | | Sphaeropsidin A |
| Sphaeropsidin C | | Sphaeropsidin C |
| spiculoic acid a | A carbobicyclic compound that is 2,3,3a,4,5,7a-hexahydro-1H-indene substituted by ethyl groups at positions 3, 4, 5 and 7, a methyl group at position 1, an oxo group at position 2, a 2-phenylethenyl group at position 5 and a carboxy group at position 4 (the 1R,3R,3aS,4S,5R,7aS stereoisomer). Isolated from Plakortis angulospiculatus, it exhibits cytotoxicity against human breast cancer MCF-7 cells. | spiculoic acid A |
| spongia-13(16),14-dien-19-oic acid | A tetracyclic diterpenoid that is 3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan substituted by methyl groups at positions 3b, 6 and 9 and a carboxy group at position 6. Isolated from Spongia, it exhibits inhibitory activity against androgen receptor. | spongia-13(16),14-dien-19-oic acid |
| sq-23377 | A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes. | ionomycin |
| squaric acid | A carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4. | squaric acid |
| staphyloxanthin | A xanthophyll that is beta-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bacterium Staphylococcus aureus its name. | staphyloxanthin |
| sterigmatocystin | An organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins. | sterigmatocystin |
| stigmasterol 3-o-beta-d-glucopyranoside | A steroid saponin that is (3beta,22E)-stigmasta-5,22-dien-3-ol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It is isolated from Symplocos lancifolia. | stigmasterol 3-O-beta-D-glucoside |
| streptobiosamine | An amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3. | streptobiosamine |
| streptozocin | An N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals. | streptozocin |
| succinyladenosine | An aspartic acid derivative that is L-aspartic acid in which one of the amine hydrogens is substituted by a 9-beta-D-ribofuranosyl-9H-purin-6-yl group. | succinyladenosine |
| sulfamethoxazole hydroxylamine | A sulfonamide compound having a 4-hydroxylaminophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. | sulfamethoxazole hydroxylamine |
| sulfosalicylic acid | An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. | 5-sulfosalicylic acid |
| sulochrin | A benzophenone that is the methyl ester of 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid. | sulochrin |
| surfactin A | A cyclodepsipeptide that is N-[(3R)-3-hydroxy-11-methyldodecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. | surfactin A |
| surfactin c | A cyclodepsipeptide that is N-[(3R)-3-hydroxy-13-methyltetradecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. | surfactin C |
| suvanine | | Suvanine |
| swerchirin | A member of the class of xanthones that is the 5-O-methyl derivative of bellidifolin. Isolated from Centaurium erythraea and Swertia chirayita, it exhibits hypoglycemic activity. | swerchirin |
| syringetin | A dimethoxyflavone that is myricetin in which the hydroxy groups at positions 3' and 5' have been replaced by methoxy groups. | syringetin |
| tabersonine | A monoterpenoid indole alkaloid with cytotoxic activity. | tabersonine |
| tamarixetin | A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae. | tamarixetin |
| tamoxifen n-oxide | A tertiary amine oxide resulting from the formal oxidation of the amino group of tamoxifen. | tamoxifen N-oxide |
| taraxasterol | A pentacyclic triterpenoid that is taraxastane with a beta-hydroxy group at position 3. | taraxasterol |
| taraxasteryl acetate | | taraxasterol acetate |
| taraxerol | A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. | taraxerol |
| taraxerone | | taraxerone |
| taxifolin | A taxifolin that has (2R,3R)-configuration. | (+)-taxifolin |
| taxusin | A taxane diterpenoid that is taxa-4(20),11-diene in which the 5alpha, 9alpha, 10beta and 13alpha hydrogens have been replaced by acetoxy groups. It is a prominent secondary metabolite of yew heartwood. | taxusin |
| tephrosin | A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities. | tephrosin |
| tetrahydrocurcumin | A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds. | tetrahydrocurcumin |
| thailandepsin a | | Thailandepsin A |
| thiazolidine-4-carboxylic acid, (r)-isomer | An optically active version of thioproline having L-configuration. | L-thioproline |
| thiophene-2-carboxaldehyde | An aldehyde that is thiophene substituted by a formyl group at position 2. | formylthiophene |
| thiouracil | A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group. | thiouracil |
| thonningianin a | | Thonningianin A |
| thunberginol f | An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a 3,4-dihydroxybenzylidene group at position 3. It has been isolated from the roots of Scorzonera judaica. | thunberginol F |
| thymidine | A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase. | thymidine |
| tiglylglycine | An N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group. | tiglylglycine |
| Tormentic acid | | Tormentic acid |
| totarol | | totarol |
| tracheloside | | Tracheloside |
| tramadol | A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. | (R,R)-tramadol |
| tricetin | Flavone hydroxylated at positions 3', 4', 5, 5' and 7. | tricetin |
| trichloroacetic acid | A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. | trichloroacetic acid |
| tricin | The 3',5'-di-O-methyl ether of tricetin. Known commonly as tricin, it is a constituent of rice bran and has been found to potently inhibit colon cancer cell growth. | 3',5'-di-O-methyltricetin |
| tridecanedioic acid | An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. | tridecanedioic acid |
| trimethyloxamine | A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine. | trimethylamine N-oxide |
| tryptophylglycine | A dipeptide formed from L-tryptophan and glycine residues. | Trp-Gly |
| tuberostemonine | | tuberostemonine |
| tyrosyl-glycyl-glycine | A tripeptide composed of one L-tyrosine and two glycine residues joined in sequence. | Tyr-Gly-Gly zwitterion; Tyr-Gly-Gly |
| tyrosylleucine | A dipeptide formed from L-tyrosine and L-leucine residues. | Tyr-Leu |
| ubiquinol | A ubiquinol in which the polyprenyl substituent is decaprenyl. | ubiquinol-10 |
| ungeremine | | ungeremine |
| uvaol | | uvaol |
| valyl-prolyl-proline | A tripeptide composed of L-valine and two L-proline units joined by peptide linkages. | Val-Pro-Pro |
| valylleucine | A dipeptide formed from L-valine and L-leucine residues. | Val-Leu |
| valyltyrosine | A dipeptide formed from L-valine and L-tyrosine residues. | Val-Tyr |
| vanilloloside | | vanilloloside |
| verminoside | | verminoside |
| veronicastroside | A disaccharide derivative that is luteolin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | luteolin 7-O-neohesperidoside |
| verproside | | verproside |
| versiconal hemiacetal acetate | An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-acetoxyethyl group. An intermediate in the biosynthesis of aflatoxin. | versiconal hemiacetal acetate |
| vestitone | A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. | vestitone |
| vicenin ii | A C-glycosyl compound that is isovitexin in which the hydrogen at position 8 is replaced by a beta-D-glucosyl residue. | isovitexin 8-C-beta-glucoside |
| vincamine | | vincamine |
| vinylamycin | A 15-membered cyclodepsipeptide isolated from Streptomyces sp.M1982-63F1. It exhibits moderate activity against Gram-positive bacteria. | vinylamycin |
| vomifoliol | A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. | (6S,9R)-vomifoliol |
| wedelolactone | A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3. | wedelolactone |
| wewakazole | | Wewakazole |
| xanthohumol | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. | xanthohumol |
| xanthosine 5'-triphosphate | A purine ribonucleoside 5'-monophosphate having xanthine as the nucleobase. | 5'-xanthylic acid |
| xanthoxyletin | | Xanthoxyletin |
| xanthurenic acid 8-methyl ether | A quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8. | 4-hydroxy-8-methoxyquinaldic acid |
| xenovulene a | A sesquiterpenoid based on a humulene skeleton. It is isolated from Sarocladium strictum and has been shown to exhibit inhibitory activity against GABA receptor. | xenovulene A |
| xestoaminol c | A sphingoid that is tetradecasphinganine in which the terminal hydroxy group has been replaced by a hydrogen. | 1-deoxytetradecasphinganine |
| yakuchinone-a | A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. | 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone |
| yuanhuadine | | Yuanhuadine |
| zaluzanin C | A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and a hydroxy group at position 8. | zaluzanin C |
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | Homo sapiens (human) | IC50 | 235.9333 | 3 | 3 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Homo sapiens (human) | IC50 | 77.8000 | 1 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | Homo sapiens (human) | IC50 | 153.9000 | 2 | 2 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | Homo sapiens (human) | IC50 | 77.8000 | 1 | 1 |
| [tau protein] kinase | Oryctolagus cuniculus (rabbit) | IC50 | 5.0000 | 1 | 1 |
| [Tau protein] kinase | Sus scrofa (pig) | IC50 | 12.2500 | 4 | 4 |
| 1-acylglycerol-3-phosphate O-acyltransferase ABHD5 isoform a | Homo sapiens (human) | IC50 | 9.6995 | 2 | 2 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | Escherichia coli K-12 | IC50 | 3.5000 | 1 | 1 |
| 10 kDa chaperonin | Escherichia coli | IC50 | 24.2238 | 2 | 8 |
| 10 kDa heat shock protein, mitochondrial | Homo sapiens (human) | IC50 | 31.4000 | 1 | 4 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | Homo sapiens (human) | IC50 | 1.7700 | 2 | 2 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | Homo sapiens (human) | IC50 | 10.2780 | 2 | 5 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Homo sapiens (human) | IC50 | 0.1452 | 3 | 3 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Rattus norvegicus (Norway rat) | IC50 | 0.0254 | 3 | 3 |
| 3-oxoacyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 3.3400 | 1 | 5 |
| 3-oxoacyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | Ki | 4.6000 | 2 | 2 |
| 3-phosphoinositide-dependent protein kinase 1 | Homo sapiens (human) | IC50 | 6.6000 | 1 | 1 |
| 30S ribosomal protein S1 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S10 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S11 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S12 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S13 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S14 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S15 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S16 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S17 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S18 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S19 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S2 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S20 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S21 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S3 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S4 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S5 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S6 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S7 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S8 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 30S ribosomal protein S9 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 4-hydroxyphenylpyruvate dioxygenase | Arabidopsis thaliana (thale cress) | IC50 | 73.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 1A | Mus musculus (house mouse) | IC50 | 0.0075 | 1 | 1 |
| 5-hydroxytryptamine receptor 1A | Rattus norvegicus (Norway rat) | IC50 | 0.6006 | 2 | 2 |
| 5-hydroxytryptamine receptor 1A | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 1B | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 1D | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 2A | Rattus norvegicus (Norway rat) | Ki | 7.7900 | 1 | 1 |
| 5-hydroxytryptamine receptor 2C | Homo sapiens (human) | Ki | 9.3400 | 1 | 1 |
| 5-hydroxytryptamine receptor 3A | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 3B | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 3C | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 3D | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 3E | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| 5-hydroxytryptamine receptor 5A | Homo sapiens (human) | Ki | 10.0000 | 2 | 2 |
| 5-hydroxytryptamine receptor 6 | Homo sapiens (human) | IC50 | 0.8700 | 1 | 1 |
| 5-hydroxytryptamine receptor 6 | Homo sapiens (human) | Ki | 0.9420 | 2 | 2 |
| 5-hydroxytryptamine receptor 7 | Homo sapiens (human) | IC50 | 126.6000 | 1 | 1 |
| 5-hydroxytryptamine receptor 7 | Homo sapiens (human) | Ki | 5.5000 | 1 | 1 |
| 5'-nucleotidase | Homo sapiens (human) | IC50 | 48.4400 | 2 | 3 |
| 5'-nucleotidase | Mus musculus (house mouse) | IC50 | 50.3200 | 1 | 1 |
| 50S ribosomal protein L1 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L10 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L11 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L13 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L14 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L15 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L16 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L17 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L18 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L19 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L2 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L20 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L21 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L22 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L23 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L24 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L25 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L27 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L28 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L29 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L3 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L30 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L31 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L31 type B | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L32 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L33 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L34 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L35 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L36 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L36 2 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L4 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L5 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L6 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 50S ribosomal protein L7/L12 | Escherichia coli K-12 | IC50 | 1.2000 | 1 | 1 |
| 6-phosphogluconate dehydrogenase, decarboxylating | Homo sapiens (human) | IC50 | 333.8300 | 1 | 3 |
| 60 kDa chaperonin | Escherichia coli K-12 | IC50 | 250.0000 | 1 | 4 |
| 60 kDa chaperonin | Escherichia coli | IC50 | 24.2237 | 2 | 8 |
| 60 kDa heat shock protein, mitochondrial | Homo sapiens (human) | IC50 | 31.4000 | 1 | 4 |
| 72 kDa type IV collagenase | Homo sapiens (human) | IC50 | 13.1900 | 5 | 5 |
| Acetylcholine receptor subunit alpha | Tetronarce californica (Pacific electric ray) | Ki | 8.0000 | 1 | 1 |
| acetylcholine receptor subunit alpha precursor | Mus musculus (house mouse) | IC50 | 4.1000 | 1 | 1 |
| Acetylcholine receptor subunit beta | Tetronarce californica (Pacific electric ray) | Ki | 8.0000 | 1 | 1 |
| Acetylcholine receptor subunit delta | Tetronarce californica (Pacific electric ray) | Ki | 8.0000 | 1 | 1 |
| Acetylcholine receptor subunit gamma | Tetronarce californica (Pacific electric ray) | Ki | 8.0000 | 1 | 1 |
| Acetylcholine-binding protein | Lymnaea stagnalis (great pond snail) | Ki | 2.5000 | 1 | 1 |
| Acetylcholinesterase | Electrophorus electricus (electric eel) | IC50 | 50.0560 | 11 | 13 |
| Acetylcholinesterase | Homo sapiens (human) | IC50 | 27.9258 | 16 | 18 |
| Acetylcholinesterase | Rattus norvegicus (Norway rat) | IC50 | 250.0000 | 4 | 5 |
| Acetylcholinesterase | Electrophorus electricus (electric eel) | Ki | 34.2500 | 2 | 2 |
| Acetylcholinesterase | Homo sapiens (human) | Ki | 56.8706 | 5 | 17 |
| Acidic phospholipase A2 2 | Naja naja (Indian cobra) | IC50 | 17.0000 | 1 | 1 |
| Acidic phospholipase A2 beta | Crotalus adamanteus (eastern diamondback rattlesnake) | IC50 | 0.4000 | 1 | 1 |
| Actin | Saccharomyces cerevisiae S288C | IC50 | 0.0733 | 1 | 3 |
| Actin, alpha skeletal muscle | Oryctolagus cuniculus (rabbit) | IC50 | 8.4700 | 1 | 1 |
| Acyl carrier protein, mitochondrial | Bos taurus (cattle) | IC50 | 0.0051 | 1 | 1 |
| Adenosine receptor A1 | Rattus norvegicus (Norway rat) | IC50 | 13.2333 | 2 | 3 |
| Adenosine receptor A1 | Homo sapiens (human) | Ki | 56.0000 | 1 | 2 |
| Adenosine receptor A1 | Rattus norvegicus (Norway rat) | Ki | 20.7333 | 3 | 3 |
| Adenosine receptor A2a | Homo sapiens (human) | IC50 | 22.4320 | 1 | 1 |
| Adenosine receptor A2a | Rattus norvegicus (Norway rat) | IC50 | 47.8000 | 1 | 1 |
| Adenosine receptor A2a | Homo sapiens (human) | Ki | 89.8732 | 3 | 4 |
| Adenosine receptor A2a | Rattus norvegicus (Norway rat) | Ki | 128.1500 | 3 | 4 |
| Adenosine receptor A2b | Homo sapiens (human) | Ki | 100.0000 | 2 | 3 |
| Adenosine receptor A2b | Rattus norvegicus (Norway rat) | Ki | 168.0000 | 2 | 3 |
| Adenosine receptor A3 | Homo sapiens (human) | IC50 | 5.3720 | 1 | 2 |
| Adenosine receptor A3 | Homo sapiens (human) | Ki | 34.8079 | 4 | 8 |
| Adenosylhomocysteinase | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| Adenylate cyclase type 10 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | Homo sapiens (human) | IC50 | 16.5000 | 1 | 4 |
| Albumin | Bos taurus (cattle) | IC50 | 73.4967 | 3 | 3 |
| Aldehyde dehydrogenase, mitochondrial | Homo sapiens (human) | Ki | 0.4500 | 1 | 1 |
| Aldehyde oxidase | Homo sapiens (human) | IC50 | 0.0300 | 1 | 1 |
| Aldo-keto reductase family 1 member A1 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Aldo-keto reductase family 1 member B1 | Bos taurus (cattle) | IC50 | 13.6300 | 1 | 1 |
| Aldo-keto reductase family 1 member B1 | Homo sapiens (human) | IC50 | 22.8591 | 10 | 11 |
| Aldo-keto reductase family 1 member B1 | Rattus norvegicus (Norway rat) | IC50 | 46.3436 | 9 | 15 |
| Aldo-keto reductase family 1 member B1 | Sus scrofa (pig) | IC50 | 95.0000 | 1 | 1 |
| Aldo-keto reductase family 1 member B1 | Rattus norvegicus (Norway rat) | Ki | 32.4470 | 1 | 2 |
| Aldo-keto reductase family 1 member B10 | Homo sapiens (human) | IC50 | 7.1729 | 7 | 7 |
| Aldo-keto reductase family 1 member B10 | Homo sapiens (human) | Ki | 3.0230 | 2 | 2 |
| Aldo-keto reductase family 1 member C1 | Homo sapiens (human) | IC50 | 21.1200 | 2 | 2 |
| Aldo-keto reductase family 1 member C2 | Homo sapiens (human) | IC50 | 12.8233 | 3 | 3 |
| Aldo-keto reductase family 1 member C3 | Homo sapiens (human) | IC50 | 3.8475 | 4 | 4 |
| Aldo-keto reductase family 1 member C4 | Homo sapiens (human) | IC50 | 5.2750 | 2 | 2 |
| alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| alkaline phosphatase, intestinal | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproprotein | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Alpha-1A adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 6.3710 | 3 | 4 |
| Alpha-1A adrenergic receptor | Homo sapiens (human) | Ki | 3.8733 | 2 | 3 |
| Alpha-1A adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 3.0365 | 1 | 2 |
| Alpha-1B adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 6.3710 | 3 | 4 |
| Alpha-1B adrenergic receptor | Homo sapiens (human) | Ki | 5.4050 | 2 | 2 |
| Alpha-1B adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 3.0365 | 1 | 2 |
| Alpha-1D adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 7.3700 | 2 | 2 |
| Alpha-1D adrenergic receptor | Homo sapiens (human) | Ki | 0.4258 | 2 | 2 |
| Alpha-2A adrenergic receptor | Homo sapiens (human) | IC50 | 14.2880 | 1 | 1 |
| Alpha-2A adrenergic receptor | Homo sapiens (human) | Ki | 6.8095 | 4 | 4 |
| Alpha-2A adrenergic receptor | Mus musculus (house mouse) | Ki | 10.0000 | 1 | 1 |
| Alpha-2B adrenergic receptor | Homo sapiens (human) | IC50 | 12.4960 | 1 | 1 |
| Alpha-2B adrenergic receptor | Homo sapiens (human) | Ki | 3.4175 | 2 | 2 |
| Alpha-2B adrenergic receptor | Mus musculus (house mouse) | Ki | 10.0000 | 1 | 1 |
| Alpha-2C adrenergic receptor | Homo sapiens (human) | IC50 | 14.2340 | 1 | 1 |
| Alpha-2C adrenergic receptor | Homo sapiens (human) | Ki | 4.1717 | 3 | 3 |
| Alpha-2C adrenergic receptor | Mus musculus (house mouse) | Ki | 10.0000 | 1 | 1 |
| Alpha-amylase 1A | Homo sapiens (human) | IC50 | 14.6200 | 2 | 4 |
| Alpha-glucosidase | Blautia obeum | IC50 | 60.0000 | 1 | 1 |
| Alpha-mannosidase 2C1 | Rattus norvegicus (Norway rat) | IC50 | 20,000.0000 | 1 | 1 |
| Alpha-synuclein | Homo sapiens (human) | IC50 | 30.5314 | 3 | 7 |
| Amine oxidase [flavin-containing] A | Homo sapiens (human) | IC50 | 6.4629 | 14 | 22 |
| Amine oxidase [flavin-containing] A | Homo sapiens (human) | Ki | 0.6187 | 6 | 7 |
| Amine oxidase [flavin-containing] A | Rattus norvegicus (Norway rat) | IC50 | 15.6000 | 2 | 2 |
| Amine oxidase [flavin-containing] B | Homo sapiens (human) | IC50 | 12.7088 | 8 | 8 |
| Amine oxidase [flavin-containing] B | Rattus norvegicus (Norway rat) | IC50 | 9.9500 | 2 | 6 |
| Amine oxidase [flavin-containing] B | Homo sapiens (human) | Ki | 29.1764 | 4 | 5 |
| Amino acid transporter | Rattus norvegicus (Norway rat) | IC50 | 1,831.7800 | 5 | 5 |
| Aminopeptidase N | Homo sapiens (human) | IC50 | 15.5000 | 1 | 1 |
| Aminopeptidase N | Sus scrofa (pig) | IC50 | 57.7500 | 2 | 2 |
| Amyloid-beta precursor protein | Homo sapiens (human) | IC50 | 47.9637 | 39 | 49 |
| Androgen receptor | Homo sapiens (human) | IC50 | 88.3648 | 3 | 6 |
| Androgen receptor | Rattus norvegicus (Norway rat) | IC50 | 21.7000 | 2 | 5 |
| Androgen receptor | Rattus norvegicus (Norway rat) | Ki | 0.4930 | 1 | 1 |
| Angiotensin-converting enzyme | Mus musculus (house mouse) | IC50 | 1,000.0000 | 1 | 1 |
| Angiotensin-converting enzyme | Oryctolagus cuniculus (rabbit) | IC50 | 20,276.2467 | 3 | 15 |
| Angiotensin-converting enzyme | Oryctolagus cuniculus (rabbit) | Ki | 40.0000 | 2 | 2 |
| Angiotensin-converting enzyme | Homo sapiens (human) | IC50 | 2,742.2842 | 5 | 37 |
| apelin receptor | Homo sapiens (human) | IC50 | 21.3000 | 1 | 1 |
| Apoptosis regulator Bcl-2 | Homo sapiens (human) | GI50 | 10.0000 | 1 | 1 |
| Apoptosis regulator Bcl-2 | Homo sapiens (human) | Ki | 0.2291 | 1 | 1 |
| Arachidonate 5-lipoxygenase | Sus scrofa (pig) | IC50 | 2,500.0000 | 1 | 1 |
| Aromatase | Homo sapiens (human) | IC50 | 47.8008 | 10 | 13 |
| Asc-type amino acid transporter 1 | Rattus norvegicus (Norway rat) | IC50 | 41.0000 | 1 | 1 |
| Aspartyl/asparaginyl beta-hydroxylase | Homo sapiens (human) | IC50 | 2.2300 | 4 | 4 |
| ATP-binding cassette sub-family C member 3 | Homo sapiens (human) | IC50 | 84.5263 | 2 | 5 |
| ATP-citrate synthase | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 4 | 4 |
| ATP-dependent molecular chaperone HSC82 | Saccharomyces cerevisiae S288C | IC50 | 0.2000 | 1 | 1 |
| ATP-dependent molecular chaperone HSP82 | Saccharomyces cerevisiae S288C | IC50 | 0.1192 | 3 | 4 |
| ATP-dependent translocase ABCB1 | Homo sapiens (human) | IC50 | 6.8830 | 44 | 48 |
| ATP-dependent translocase ABCB1 | Mus musculus (house mouse) | IC50 | 67.6000 | 5 | 5 |
| ATP-dependent translocase ABCB1 | Homo sapiens (human) | Ki | 1.7183 | 6 | 6 |
| ATP-dependent translocase ABCB1 | Mus musculus (house mouse) | Ki | 3.5750 | 2 | 2 |
| Aurora kinase B | Homo sapiens (human) | IC50 | 4.4086 | 1 | 7 |
| B2 bradykinin receptor | Cavia porcellus (domestic guinea pig) | IC50 | 1.2000 | 1 | 1 |
| Bcl-2-like protein 1 | Homo sapiens (human) | GI50 | 10.0000 | 1 | 1 |
| bcl-2-related protein A1 | Mus musculus (house mouse) | IC50 | 20.0000 | 1 | 1 |
| Beta lactamase (plasmid) | Pseudomonas aeruginosa | IC50 | 7.7510 | 1 | 1 |
| Beta-1 adrenergic receptor | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| Beta-2 adrenergic receptor | Cavia porcellus (domestic guinea pig) | IC50 | 10.0000 | 1 | 1 |
| Beta-2 adrenergic receptor | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| Beta-carbonic anhydrase 1 | Mycobacterium tuberculosis H37Rv | Ki | 2.1800 | 1 | 3 |
| Beta-glucuronidase | Rattus norvegicus (Norway rat) | IC50 | 8.2500 | 1 | 2 |
| Beta-hydroxyacyl-ACP dehydratase precursor (Fatty acid synthesis protein) | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 2.7000 | 1 | 4 |
| Beta-hydroxyacyl-ACP dehydratase precursor (Fatty acid synthesis protein) | Plasmodium falciparum (malaria parasite P. falciparum) | Ki | 2.8000 | 1 | 1 |
| Beta-lactamase | Enterobacter cloacae | IC50 | 246.0000 | 2 | 3 |
| Beta-lactamase | Escherichia coli K-12 | IC50 | 25.0000 | 4 | 4 |
| Beta-secretase 1 | Homo sapiens (human) | IC50 | 115.7296 | 12 | 28 |
| Beta-secretase 1 | Homo sapiens (human) | Ki | 9.7156 | 5 | 9 |
| Beta-tubulin | Leishmania donovani | IC50 | 1.0000 | 1 | 1 |
| Bifunctional epoxide hydrolase 2 | Homo sapiens (human) | IC50 | 31.8333 | 3 | 3 |
| Bifunctional epoxide hydrolase 2 | Homo sapiens (human) | Ki | 28.7500 | 2 | 2 |
| Bile acid receptor | Homo sapiens (human) | IC50 | 9.7000 | 2 | 2 |
| Bile salt export pump | Homo sapiens (human) | IC50 | 220.3053 | 9 | 19 |
| Bile salt export pump | Rattus norvegicus (Norway rat) | IC50 | 500.3000 | 1 | 2 |
| Bile salt export pump | Homo sapiens (human) | Ki | 9.5000 | 1 | 1 |
| Bile salt export pump | Rattus norvegicus (Norway rat) | Ki | 0.3000 | 1 | 1 |
| Botulinum neurotoxin type A | Clostridium botulinum | IC50 | 5.2000 | 1 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | Homo sapiens (human) | GI50 | 1.6700 | 3 | 3 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | Homo sapiens (human) | IC50 | 17.7672 | 9 | 13 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | Homo sapiens (human) | Ki | 0.5000 | 1 | 1 |
| Bromodomain-containing protein 4 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Calcineurin subunit B type 1 | Homo sapiens (human) | IC50 | 34.0000 | 1 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Homo sapiens (human) | IC50 | 37.0000 | 1 | 1 |
| Calmodulin-1 | Homo sapiens (human) | IC50 | 65.7200 | 2 | 2 |
| calpain II, partial | Sus scrofa (pig) | IC50 | 5.0004 | 1 | 1 |
| Calpain-1 catalytic subunit | Homo sapiens (human) | IC50 | 8.4655 | 2 | 2 |
| cAMP-dependent protein kinase catalytic subunit alpha | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| cAMP-dependent protein kinase catalytic subunit beta | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| cAMP-dependent protein kinase catalytic subunit gamma | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) | IC50 | 59.8856 | 6 | 9 |
| Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) | Ki | 11.2700 | 3 | 3 |
| Canalicular multispecific organic anion transporter 1 | Rattus norvegicus (Norway rat) | Ki | 61.3200 | 3 | 3 |
| Cannabinoid receptor 1 | Homo sapiens (human) | IC50 | 0.0028 | 1 | 1 |
| Cannabinoid receptor 1 | Rattus norvegicus (Norway rat) | IC50 | 0.2180 | 1 | 1 |
| Cannabinoid receptor 1 | Homo sapiens (human) | Ki | 2.3712 | 21 | 21 |
| Cannabinoid receptor 1 | Mus musculus (house mouse) | Ki | 0.0405 | 2 | 2 |
| Cannabinoid receptor 1 | Rattus norvegicus (Norway rat) | Ki | 0.2189 | 11 | 11 |
| Cannabinoid receptor 2 | Rattus norvegicus (Norway rat) | IC50 | 0.2180 | 1 | 1 |
| Cannabinoid receptor 2 | Mus musculus (house mouse) | Ki | 0.0362 | 4 | 5 |
| Cannabinoid receptor 2 | Rattus norvegicus (Norway rat) | Ki | 0.0460 | 1 | 1 |
| Cannabinoid receptor 2 | Homo sapiens (human) | IC50 | 0.0095 | 1 | 1 |
| Cannabinoid receptor 2 | Homo sapiens (human) | Ki | 3.5823 | 27 | 27 |
| Carbonic anhydrase | Dicentrarchus labrax (European seabass) | Ki | 2.1300 | 1 | 1 |
| Carbonic anhydrase | Methanosarcina thermophila | Ki | 50.0000 | 1 | 1 |
| Carbonic anhydrase | Methanothermobacter thermautotrophicus str. Delta H | Ki | 700.0000 | 1 | 1 |
| Carbonic anhydrase | Stylophora pistillata | Ki | 3,940.0000 | 1 | 1 |
| Carbonic anhydrase | Stylophora pistillata | Ki | 580.0000 | 1 | 1 |
| Carbonic anhydrase 1 | Homo sapiens (human) | IC50 | 420.0000 | 1 | 1 |
| Carbonic anhydrase 1 | Homo sapiens (human) | Ki | 184.6642 | 23 | 45 |
| Carbonic anhydrase 12 | Homo sapiens (human) | Ki | 383.7411 | 10 | 24 |
| Carbonic anhydrase 13 | Homo sapiens (human) | Ki | 501.5750 | 2 | 2 |
| Carbonic anhydrase 13 | Mus musculus (house mouse) | Ki | 837.4067 | 3 | 15 |
| Carbonic anhydrase 14 | Homo sapiens (human) | Ki | 454.1971 | 4 | 17 |
| Carbonic anhydrase 15 | Mus musculus (house mouse) | Ki | 667.5000 | 2 | 2 |
| Carbonic anhydrase 2 | Homo sapiens (human) | IC50 | 290.0000 | 1 | 1 |
| Carbonic anhydrase 2 | Mycobacterium tuberculosis H37Rv | IC50 | 2.3000 | 1 | 1 |
| Carbonic anhydrase 2 | Homo sapiens (human) | Ki | 241.5636 | 24 | 45 |
| Carbonic anhydrase 2 | Mycobacterium tuberculosis H37Rv | Ki | 2.1800 | 1 | 3 |
| Carbonic anhydrase 3 | Bos taurus (cattle) | Ki | 10.2125 | 1 | 8 |
| Carbonic anhydrase 3 | Homo sapiens (human) | Ki | 514.2400 | 3 | 15 |
| Carbonic anhydrase 4 | Homo sapiens (human) | Ki | 442.3235 | 6 | 26 |
| Carbonic anhydrase 5A, mitochondrial | Homo sapiens (human) | Ki | 505.3588 | 5 | 17 |
| Carbonic anhydrase 5B, mitochondrial | Homo sapiens (human) | Ki | 467.7118 | 5 | 17 |
| Carbonic anhydrase 6 | Homo sapiens (human) | Ki | 527.3500 | 4 | 16 |
| Carbonic anhydrase 7 | Homo sapiens (human) | Ki | 491.6018 | 7 | 21 |
| Carbonic anhydrase 9 | Homo sapiens (human) | Ki | 406.4130 | 10 | 23 |
| Carbonic anhydrase, alpha family | Hydrogenovibrio crunogenus XCL-2 | Ki | 1.1000 | 1 | 1 |
| Carbonyl reductase [NADPH] 1 | Homo sapiens (human) | IC50 | 3.5250 | 1 | 2 |
| Carbonyl reductase [NADPH] 1 | Homo sapiens (human) | Ki | 0.5600 | 1 | 2 |
| Carboxylic ester hydrolase | Equus caballus (horse) | IC50 | 1.4000 | 1 | 1 |
| Carboxylic ester hydrolase | Rattus norvegicus (Norway rat) | IC50 | 275.0000 | 2 | 2 |
| Carboxylic ester hydrolase | Equus caballus (horse) | Ki | 1.2000 | 1 | 1 |
| Carnitine O-palmitoyltransferase 1, muscle isoform | Rattus norvegicus (Norway rat) | IC50 | 1.2000 | 1 | 1 |
| Casein kinase I isoform alpha | Sus scrofa (pig) | IC50 | 50.0000 | 1 | 1 |
| Casein kinase I isoform delta | Homo sapiens (human) | IC50 | 1.5000 | 2 | 2 |
| Casein kinase I isoform epsilon | Homo sapiens (human) | IC50 | 1.5000 | 1 | 1 |
| Casein kinase II subunit alpha | Homo sapiens (human) | IC50 | 2.5900 | 5 | 10 |
| Casein kinase II subunit alpha | Homo sapiens (human) | Ki | 0.5480 | 4 | 5 |
| Casein kinase II subunit alpha 3 | Homo sapiens (human) | IC50 | 3.7167 | 1 | 3 |
| Casein kinase II subunit alpha' | Homo sapiens (human) | IC50 | 2.7889 | 4 | 9 |
| Casein kinase II subunit alpha' | Homo sapiens (human) | Ki | 0.1700 | 1 | 1 |
| Casein kinase II subunit beta | Homo sapiens (human) | IC50 | 2.7889 | 4 | 9 |
| Casein kinase II subunit beta | Homo sapiens (human) | Ki | 0.1700 | 1 | 1 |
| caspase-3 isoform a preproprotein | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Cathepsin B | Homo sapiens (human) | IC50 | 420.0000 | 1 | 1 |
| Cathepsin B | Mus musculus (house mouse) | IC50 | 230.0000 | 1 | 1 |
| cathepsin L1 | Homo sapiens (human) | IC50 | 59.6420 | 1 | 1 |
| Cathepsin L2 | Homo sapiens (human) | IC50 | 48.0000 | 1 | 1 |
| Cationic trypsin | Bos taurus (cattle) | IC50 | 126.1500 | 1 | 2 |
| CD209 antigen | Homo sapiens (human) | Ki | 13,100.0000 | 1 | 1 |
| CDGSH iron-sulfur domain-containing protein 1 | Homo sapiens (human) | IC50 | 2.3600 | 1 | 1 |
| CDGSH iron-sulfur domain-containing protein 1 | Homo sapiens (human) | Ki | 0.1010 | 1 | 1 |
| Cell division protein FtsZ | Bacillus subtilis subsp. subtilis str. 168 | IC50 | 24.0000 | 1 | 1 |
| Cell division protein FtsZ | Escherichia coli K-12 | IC50 | 12.5000 | 1 | 1 |
| Cellular retinoic acid-binding protein 1 | Gallus gallus (chicken) | IC50 | 10.0000 | 1 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Homo sapiens (human) | IC50 | 9.3000 | 2 | 2 |
| Chain A [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 1 | Homo sapiens (human) | IC50 | 400.0000 | 1 | 1 |
| Chain A [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 3 | Homo sapiens (human) | IC50 | 400.0000 | 1 | 1 |
| Chain A, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase | Helicobacter pylori | Ki | 14.9000 | 1 | 3 |
| Chain A, Aicar Transformylase-imp Cyclohydrolase | Gallus gallus (chicken) | Ki | 0.1200 | 1 | 1 |
| Chain A, Bifunctional purine biosynthesis protein PURH | Homo sapiens (human) | Ki | 0.1200 | 1 | 1 |
| Chain A, Casein kinase II subunit alpha | Zea mays | IC50 | 1.2000 | 1 | 3 |
| Chain A, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | IC50 | 0.3500 | 1 | 1 |
| Chain A, Epoxide hydrolase | Aspergillus niger | Ki | 250.0000 | 1 | 1 |
| Chain A, Glutamate receptor 2 | Rattus norvegicus (Norway rat) | IC50 | 3.5000 | 1 | 1 |
| Chain A, HIV-1 PROTEASE | Human immunodeficiency virus 1 | Ki | 0.2462 | 1 | 10 |
| Chain A, HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE | Escherichia coli | Ki | 526.0000 | 1 | 2 |
| Chain A, limonene-1,2-epoxide hydrolase | Rhodococcus erythropolis | Ki | 100.0000 | 1 | 1 |
| Chain A, Macrophage migration inhibitory factor | Homo sapiens (human) | IC50 | 0.0380 | 1 | 1 |
| Chain A, N-methyl-D-aspartate Receptor Subunit 1 | Rattus norvegicus (Norway rat) | Ki | 241.0000 | 1 | 3 |
| Chain A, NAD-dependent deacetylase | Thermotoga maritima | IC50 | 1,000.0000 | 1 | 1 |
| Chain A, orotidine 5'-monophosphate decarboxylase | Archaea | Ki | 0.4100 | 1 | 1 |
| Chain A, orotidine 5'-monophosphate decarboxylase | Methanothermobacter thermautotrophicus str. Delta H | Ki | 0.4100 | 1 | 1 |
| Chain A, orotidine monophosphate decarboxylase | Methanothermobacter thermautotrophicus | Ki | 0.4100 | 1 | 1 |
| Chain A, orotidine monophosphate decarboxylase | Methanothermobacter thermautotrophicus str. Delta H | Ki | 0.4100 | 1 | 1 |
| Chain A, Pancreatic alpha-amylase | Homo sapiens (human) | Ki | 1,300.0000 | 1 | 2 |
| Chain A, Proto-oncogene serine/threonine-protein kinase Pim-1 | Homo sapiens (human) | IC50 | 0.6500 | 1 | 4 |
| Chain B, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase | Helicobacter pylori | Ki | 14.9000 | 1 | 3 |
| Chain B, Aicar Transformylase-imp Cyclohydrolase | Gallus gallus (chicken) | Ki | 0.1200 | 1 | 1 |
| Chain B, Bifunctional purine biosynthesis protein PURH | Homo sapiens (human) | Ki | 0.1200 | 1 | 1 |
| Chain B, Cell division protein kinase 6 | Homo sapiens (human) | IC50 | 0.8500 | 1 | 1 |
| Chain B, HIV-1 PROTEASE | Human immunodeficiency virus 1 | Ki | 0.2462 | 1 | 10 |
| Chain B, orotidine 5'-monophosphate decarboxylase | Methanothermobacter thermautotrophicus str. Delta H | Ki | 0.4100 | 1 | 1 |
| Chain B, orotidine monophosphate decarboxylase | Methanothermobacter thermautotrophicus str. Delta H | Ki | 0.4100 | 1 | 1 |
| Chain C, Macrophage migration inhibitory factor | Homo sapiens (human) | IC50 | 0.0380 | 1 | 1 |
| Cholecystokinin receptor type A | Homo sapiens (human) | IC50 | 11.3800 | 1 | 1 |
| Cholecystokinin receptor type A | Homo sapiens (human) | Ki | 2.2760 | 1 | 1 |
| Cholesteryl ester transfer protein | Homo sapiens (human) | IC50 | 0.1400 | 1 | 1 |
| Choline O-acetyltransferase | Rattus norvegicus (Norway rat) | IC50 | 200.0000 | 1 | 1 |
| Choline trimethylamine-lyase | Oleidesulfovibrio alaskensis G20 | IC50 | 110.0000 | 1 | 1 |
| Cholinesterase | Equus caballus (horse) | IC50 | 83.5700 | 9 | 10 |
| Cholinesterase | Homo sapiens (human) | IC50 | 73.8583 | 5 | 6 |
| Cholinesterase | Equus caballus (horse) | Ki | 30.7300 | 2 | 2 |
| Cholinesterase | Homo sapiens (human) | Ki | 35.9038 | 2 | 12 |
| Chymotrypsinogen A | Bos taurus (cattle) | IC50 | 246.0000 | 2 | 3 |
| Chymotrypsinogen B | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| Class A sortase SrtA | Staphylococcus aureus | IC50 | 32.4450 | 4 | 4 |
| Coagulation factor VII | Homo sapiens (human) | IC50 | 52.0000 | 1 | 1 |
| Coagulation factor VII | Homo sapiens (human) | Ki | 8,000.0000 | 1 | 1 |
| Coagulation factor XII | Homo sapiens (human) | Ki | 33.0577 | 1 | 10 |
| Cocaine esterase | Homo sapiens (human) | IC50 | 1.9000 | 1 | 1 |
| Cocaine esterase | Homo sapiens (human) | Ki | 50.0287 | 1 | 2 |
| Collagenase 3 | Homo sapiens (human) | IC50 | 17.3070 | 2 | 2 |
| Corticosteroid 11-beta-dehydrogenase isozyme 1 | Homo sapiens (human) | IC50 | 0.8100 | 1 | 1 |
| Corticosteroid-binding globulin | Homo sapiens (human) | Ki | 0.0182 | 1 | 1 |
| CPG DNA methylase | Spiroplasma monobiae | IC50 | 0.0300 | 1 | 1 |
| CREB-binding protein | Homo sapiens (human) | IC50 | 39.8000 | 5 | 5 |
| Cruzipain | Trypanosoma cruzi | IC50 | 45.0000 | 2 | 2 |
| Cyclin homolog | Herpesvirus saimiri (strain 11) | IC50 | 1.4162 | 1 | 8 |
| Cyclin-A1 | Homo sapiens (human) | IC50 | 32.5000 | 2 | 2 |
| Cyclin-A2 | Homo sapiens (human) | IC50 | 25.0000 | 3 | 3 |
| Cyclin-dependent kinase 1 | Homo sapiens (human) | IC50 | 93.1975 | 3 | 4 |
| Cyclin-dependent kinase 1 | Oryzias latipes (Japanese medaka) | IC50 | 1.4162 | 1 | 8 |
| Cyclin-dependent kinase 2 | Homo sapiens (human) | IC50 | 26.1290 | 6 | 10 |
| Cyclin-dependent kinase 5 activator 1 | Homo sapiens (human) | IC50 | 4.7053 | 9 | 17 |
| Cyclin-dependent kinase 6 | Homo sapiens (human) | IC50 | 1.3880 | 2 | 10 |
| Cyclin-dependent kinase 7 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Cyclin-dependent kinase 9 | Homo sapiens (human) | IC50 | 0.7200 | 1 | 1 |
| Cyclin-dependent-like kinase 5 | Homo sapiens (human) | IC50 | 4.4828 | 10 | 18 |
| Cyclin-dependent-like kinase 5 | Homo sapiens (human) | Ki | 0.1700 | 1 | 2 |
| Cyclin-H | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Cyclin-T1 | Homo sapiens (human) | IC50 | 0.7200 | 1 | 1 |
| Cyclooxygenase-2 | Canis lupus familiaris (dog) | IC50 | 3.7900 | 1 | 1 |
| Cystathionine beta-synthase | Homo sapiens (human) | IC50 | 14.3000 | 1 | 2 |
| Cystathionine gamma-lyase | Homo sapiens (human) | IC50 | 400.0000 | 1 | 2 |
| Cysteine protease | Trypanosoma brucei rhodesiense | IC50 | 7.7500 | 1 | 1 |
| Cystic fibrosis transmembrane conductance regulator | Homo sapiens (human) | Ki | 81.0000 | 1 | 1 |
| Cytochrome P450 1A1 | Homo sapiens (human) | IC50 | 3.1787 | 4 | 11 |
| Cytochrome P450 1A1 | Homo sapiens (human) | Ki | 21.8217 | 4 | 6 |
| Cytochrome P450 1A2 | Homo sapiens (human) | IC50 | 1,335.2429 | 9 | 16 |
| Cytochrome P450 1A2 | Homo sapiens (human) | Ki | 1.4715 | 2 | 2 |
| Cytochrome P450 1B1 | Homo sapiens (human) | IC50 | 0.8626 | 8 | 16 |
| Cytochrome P450 1B1 | Homo sapiens (human) | Ki | 111.5153 | 4 | 11 |
| Cytochrome P450 2A13 | Homo sapiens (human) | Ki | 3.8000 | 1 | 1 |
| Cytochrome P450 2A6 | Homo sapiens (human) | Ki | 1.7000 | 1 | 1 |
| Cytochrome P450 2B1 | Rattus norvegicus (Norway rat) | Ki | 2.4000 | 1 | 1 |
| Cytochrome P450 2B4 | Oryctolagus cuniculus (rabbit) | Ki | 2.8000 | 1 | 1 |
| Cytochrome P450 2B6 | Homo sapiens (human) | IC50 | 10,000.0000 | 2 | 2 |
| Cytochrome P450 2B6 | Homo sapiens (human) | Ki | 5.2000 | 1 | 1 |
| Cytochrome P450 2C19 | Homo sapiens (human) | IC50 | 2,917.1678 | 6 | 7 |
| Cytochrome P450 2C19 | Homo sapiens (human) | Ki | 0.0001 | 1 | 1 |
| Cytochrome P450 2C8 | Homo sapiens (human) | IC50 | 10,000.0000 | 1 | 1 |
| Cytochrome P450 2C9 | Homo sapiens (human) | IC50 | 2,869.5928 | 7 | 7 |
| Cytochrome P450 2C9 | Homo sapiens (human) | Ki | 19.0000 | 1 | 1 |
| Cytochrome P450 2D6 | Homo sapiens (human) | IC50 | 2,519.6336 | 8 | 8 |
| Cytochrome P450 2D6 | Homo sapiens (human) | Ki | 7.9334 | 3 | 3 |
| Cytochrome P450 2E1 | Homo sapiens (human) | Ki | 20.3267 | 3 | 3 |
| Cytochrome P450 3A4 | Homo sapiens (human) | IC50 | 3,190.5171 | 20 | 22 |
| Cytochrome P450 3A4 | Homo sapiens (human) | Ki | 15.1828 | 8 | 11 |
| Cytochrome P450 3A43 | Homo sapiens (human) | IC50 | 2.0600 | 1 | 1 |
| Cytochrome P450 3A43 | Homo sapiens (human) | Ki | 7.6000 | 1 | 2 |
| Cytochrome P450 3A5 | Homo sapiens (human) | IC50 | 3,347.3533 | 3 | 3 |
| Cytochrome P450 3A5 | Homo sapiens (human) | Ki | 11.7333 | 2 | 3 |
| Cytochrome P450 3A7 | Homo sapiens (human) | IC50 | 2.0600 | 1 | 1 |
| Cytochrome P450 3A7 | Homo sapiens (human) | Ki | 7.6000 | 1 | 2 |
| D | Rattus norvegicus (Norway rat) | IC50 | 38.7500 | 1 | 2 |
| D-alanine--D-alanine ligase | Enterococcus faecalis V583 | IC50 | 262.0000 | 1 | 1 |
| D-amino-acid oxidase | Homo sapiens (human) | IC50 | 1,203.4116 | 5 | 8 |
| D-amino-acid oxidase | Sus scrofa (pig) | IC50 | 1.0015 | 2 | 4 |
| D-aspartate oxidase | Homo sapiens (human) | IC50 | 1,540.9750 | 1 | 4 |
| D-aspartate oxidase | Homo sapiens (human) | Ki | 3.8000 | 1 | 1 |
| D-aspartate oxidase | Mus musculus (house mouse) | Ki | 8.6900 | 1 | 1 |
| D-aspartate oxidase | Bos taurus (cattle) | IC50 | 10.0000 | 1 | 1 |
| D-aspartate oxidase | Rattus norvegicus (Norway rat) | Ki | 5.8900 | 1 | 1 |
| D(1A) dopamine receptor | Homo sapiens (human) | Ki | 5.0400 | 2 | 2 |
| D(1B) dopamine receptor | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| D(2) dopamine receptor | Rattus norvegicus (Norway rat) | IC50 | 32.9000 | 1 | 2 |
| D(2) dopamine receptor | Homo sapiens (human) | Ki | 5.2445 | 2 | 2 |
| D(3) dopamine receptor | Rattus norvegicus (Norway rat) | IC50 | 928.0000 | 1 | 1 |
| D(3) dopamine receptor | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| D(4) dopamine receptor | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| Death-associated protein kinase 1 | Homo sapiens (human) | IC50 | 128.9333 | 2 | 6 |
| Delta-type opioid receptor | Homo sapiens (human) | IC50 | 4.2020 | 1 | 1 |
| Delta-type opioid receptor | Mus musculus (house mouse) | IC50 | 14.4000 | 1 | 1 |
| Delta-type opioid receptor | Homo sapiens (human) | Ki | 7.7368 | 10 | 12 |
| Delta-type opioid receptor | Mus musculus (house mouse) | Ki | 7.0000 | 4 | 4 |
| Deoxyuridine triphosphatase, putative | Trypanosoma cruzi strain CL Brener | Ki | 18.4000 | 1 | 1 |
| Diacylglycerol lipase-alpha | Homo sapiens (human) | IC50 | 27.3000 | 1 | 1 |
| Dihydroorotate dehydrogenase | Leishmania major | IC50 | 639.4523 | 1 | 8 |
| Dihydroorotate dehydrogenase | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 10.0000 | 1 | 2 |
| Dihydroorotate dehydrogenase (fumarate) | Saccharomyces cerevisiae S288C | IC50 | 10.0000 | 1 | 2 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | Homo sapiens (human) | IC50 | 37.5325 | 3 | 4 |
| Dipeptidyl peptidase 3 | Homo sapiens (human) | IC50 | 114.1000 | 1 | 4 |
| Dipeptidyl peptidase 4 | Homo sapiens (human) | IC50 | 29.1462 | 3 | 5 |
| Disabled homolog 2-interacting protein | Homo sapiens (human) | Ki | 1.2600 | 1 | 1 |
| DNA damage-inducible transcript 3 protein | Mus musculus (house mouse) | IC50 | 7.5367 | 1 | 3 |
| DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | IC50 | 9.4400 | 1 | 1 |
| DNA polymerase beta | Homo sapiens (human) | IC50 | 35.9333 | 3 | 3 |
| DNA polymerase beta | Rattus norvegicus (Norway rat) | IC50 | 122.3000 | 1 | 1 |
| DNA polymerase I, thermostable | Thermus aquaticus | IC50 | 47.8000 | 1 | 1 |
| DNA polymerase kappa | Homo sapiens (human) | IC50 | 4.5000 | 2 | 2 |
| DNA repair protein RAD52 homolog | Homo sapiens (human) | IC50 | 230.0638 | 2 | 4 |
| DNA topoisomerase 1 | Homo sapiens (human) | IC50 | 6.1000 | 1 | 1 |
| DNA topoisomerase 1 | Yersinia pestis | IC50 | 1,000.0000 | 1 | 1 |
| DNA topoisomerase 2-alpha | Homo sapiens (human) | IC50 | 354.8000 | 3 | 3 |
| DNA-3-methyladenine glycosylase | Homo sapiens (human) | IC50 | 2.6000 | 1 | 1 |
| DNA-dependent protein kinase catalytic subunit | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 | Homo sapiens (human) | IC50 | 1.0178 | 5 | 5 |
| Dual specificity mitogen-activated protein kinase kinase 4 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 7 | Homo sapiens (human) | IC50 | 0.8000 | 2 | 2 |
| Dual specificity protein kinase CLK1 | Homo sapiens (human) | IC50 | 0.0860 | 4 | 4 |
| Dual specificity protein kinase CLK1 | Mus musculus (house mouse) | IC50 | 0.0720 | 1 | 1 |
| Dual specificity protein kinase CLK2 | Mus musculus (house mouse) | IC50 | 0.2800 | 1 | 1 |
| Dual specificity protein kinase CLK3 | Mus musculus (house mouse) | IC50 | 10.0000 | 1 | 1 |
| Dual specificity protein kinase CLK4 | Mus musculus (house mouse) | IC50 | 0.0500 | 1 | 1 |
| dual specificity protein phosphatase 3 | Homo sapiens (human) | IC50 | 54.7100 | 2 | 3 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | IC50 | 0.1097 | 30 | 31 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Rattus norvegicus (Norway rat) | IC50 | 7.5298 | 4 | 4 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | Ki | 0.0330 | 1 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Homo sapiens (human) | IC50 | 0.1183 | 5 | 5 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Homo sapiens (human) | Ki | 0.1660 | 1 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Homo sapiens (human) | IC50 | 1.3138 | 8 | 8 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 | Homo sapiens (human) | IC50 | 0.6040 | 5 | 5 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 4 | Homo sapiens (human) | IC50 | 54.5000 | 3 | 3 |
| Ectonucleoside triphosphate diphosphohydrolase 1 | Mus musculus (house mouse) | IC50 | 49.7600 | 1 | 1 |
| ELAV-like protein 3 | Homo sapiens (human) | IC50 | 0.7000 | 1 | 2 |
| Endothelial PAS domain-containing protein 1 | Homo sapiens (human) | IC50 | 7.8922 | 6 | 6 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Escherichia coli K-12 | IC50 | 10.0000 | 1 | 1 |
| Enoyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 9.8500 | 4 | 10 |
| Enoyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | Ki | 0.2748 | 6 | 6 |
| Epidermal growth factor receptor | Homo sapiens (human) | IC50 | 9.0747 | 2 | 3 |
| Estrogen receptor | Homo sapiens (human) | IC50 | 47.8581 | 19 | 22 |
| Estrogen receptor | Homo sapiens (human) | Ki | 5.0835 | 1 | 2 |
| Estrogen receptor 1 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 2 |
| Estrogen receptor beta | Homo sapiens (human) | IC50 | 126.8050 | 7 | 8 |
| estrogen receptor beta isoform 1 | Homo sapiens (human) | IC50 | 2.9272 | 1 | 2 |
| Estrogen-related receptor gamma | Homo sapiens (human) | IC50 | 0.0084 | 2 | 3 |
| Eukaryotic elongation factor 2 kinase | Homo sapiens (human) | IC50 | 5.3000 | 1 | 1 |
| Eukaryotic initiation factor 4A-I | Homo sapiens (human) | IC50 | 0.1044 | 4 | 4 |
| Excitatory amino acid transporter 1 | Homo sapiens (human) | IC50 | 3.8952 | 1 | 2 |
| Excitatory amino acid transporter 2 | Homo sapiens (human) | IC50 | 9.5750 | 1 | 2 |
| Excitatory amino acid transporter 3 | Homo sapiens (human) | IC50 | 9.5750 | 1 | 2 |
| Excitatory amino acid transporter 4 | Rattus norvegicus (Norway rat) | IC50 | 2.8092 | 1 | 2 |
| Exportin-1 | Homo sapiens (human) | IC50 | 1.6000 | 1 | 1 |
| Fatty acid synthase | Gallus gallus (chicken) | IC50 | 55.0000 | 2 | 2 |
| Fatty acid-binding protein, liver | Mus musculus (house mouse) | Ki | 1.0000 | 1 | 1 |
| Fatty-acid amide hydrolase 1 | Homo sapiens (human) | IC50 | 43.6000 | 1 | 1 |
| Fatty-acid amide hydrolase 1 | Rattus norvegicus (Norway rat) | IC50 | 6.6500 | 2 | 2 |
| Fibroblast growth factor receptor 1 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| fMet-Leu-Phe receptor | Homo sapiens (human) | IC50 | 7.6500 | 2 | 2 |
| Fructose-1,6-bisphosphatase 1 | Homo sapiens (human) | IC50 | 38.2000 | 1 | 1 |
| Fucose-binding lectin PA-IIL | Pseudomonas aeruginosa PAO1 | IC50 | 100.5000 | 2 | 2 |
| G protein-coupled receptor kinase 6 | Homo sapiens (human) | IC50 | 6.6100 | 1 | 1 |
| G-protein coupled receptor 35 | Homo sapiens (human) | IC50 | 1.6000 | 1 | 1 |
| G-protein coupled receptor 55 | Homo sapiens (human) | IC50 | 8.4211 | 2 | 2 |
| G1/S-specific cyclin-E1 | Homo sapiens (human) | IC50 | 36.2900 | 1 | 1 |
| G2/mitotic-specific cyclin-B | Marthasterias glacialis (spiny starfish) | IC50 | 1.4163 | 1 | 8 |
| G2/mitotic-specific cyclin-B1 | Homo sapiens (human) | IC50 | 7.5967 | 2 | 3 |
| G2/mitotic-specific cyclin-B2 | Homo sapiens (human) | IC50 | 7.5967 | 2 | 3 |
| G2/mitotic-specific cyclin-B3 | Homo sapiens (human) | IC50 | 7.5967 | 2 | 3 |
| GABA theta subunit | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| GABA theta subunit | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gag-Pol polyprotein | HIV-1 M:B_HXB2R | IC50 | 0.5520 | 1 | 1 |
| Gag-Pol polyprotein | Human immunodeficiency virus type 1 (BRU ISOLATE) | Ki | 0.0003 | 1 | 1 |
| Gag-Pol polyprotein | Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE) | Ki | 0.0010 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit delta | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit epsilon | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | IC50 | 174,001.1800 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit pi | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | Ki | 6.5283 | 4 | 6 |
| Gamma-aminobutyric acid receptor subunit theta | Homo sapiens (human) | Ki | 17.7905 | 3 | 7 |
| Genome polyprotein | Dengue virus 2 Thailand/16681/84 | IC50 | 57.2800 | 1 | 1 |
| Genome polyprotein | Hepatitis C virus (isolate BK) | IC50 | 36.0000 | 1 | 1 |
| Genome polyprotein | Dengue virus 2 Thailand/16681/84 | Ki | 25.0000 | 1 | 1 |
| Genome polyprotein | | IC50 | 1.0000 | 1 | 1 |
| Genome polyprotein | Human rhinovirus sp. | IC50 | 88.0000 | 1 | 2 |
| Genome polyprotein | Zika virus | IC50 | 96.5000 | 1 | 2 |
| Ghrelin O-acyltransferase | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Glucocorticoid receptor | Homo sapiens (human) | IC50 | 0.0510 | 1 | 1 |
| Glucocorticoid receptor | Homo sapiens (human) | Ki | 0.0230 | 1 | 1 |
| Glucose-6-phosphate 1-dehydrogenase | Homo sapiens (human) | IC50 | 39.8550 | 1 | 2 |
| Glucose-6-phosphate 1-dehydrogenase | Saccharomyces cerevisiae S288C | IC50 | 333.4733 | 1 | 3 |
| Glucose-6-phosphate 1-dehydrogenase | Homo sapiens (human) | Ki | 6.9724 | 5 | 5 |
| glucose-6-phosphate 1-dehydrogenase isoform b | Homo sapiens (human) | IC50 | 50.8000 | 1 | 2 |
| glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | Plasmodium berghei | IC50 | 25.2533 | 3 | 6 |
| Glutamate carboxypeptidase 2 | Rattus norvegicus (Norway rat) | IC50 | 2.4000 | 1 | 1 |
| Glutamate receptor 1 | Rattus norvegicus (Norway rat) | IC50 | 1.8000 | 1 | 1 |
| Glutamate receptor 1 | Homo sapiens (human) | Ki | 1,848.5714 | 1 | 21 |
| Glutamate receptor 1 | Rattus norvegicus (Norway rat) | Ki | 2.7800 | 1 | 1 |
| Glutamate receptor 2 | Rattus norvegicus (Norway rat) | IC50 | 1.8000 | 1 | 1 |
| Glutamate receptor 2 | Homo sapiens (human) | Ki | 1,848.5714 | 1 | 21 |
| Glutamate receptor 2 | Rattus norvegicus (Norway rat) | Ki | 1.6600 | 1 | 1 |
| Glutamate receptor 3 | Rattus norvegicus (Norway rat) | IC50 | 1.8000 | 1 | 1 |
| Glutamate receptor 3 | Homo sapiens (human) | Ki | 1,848.5714 | 1 | 21 |
| Glutamate receptor 3 | Rattus norvegicus (Norway rat) | Ki | 2.0400 | 1 | 1 |
| Glutamate receptor 4 | Rattus norvegicus (Norway rat) | IC50 | 1.8000 | 1 | 1 |
| Glutamate receptor 4 | Homo sapiens (human) | Ki | 1,848.5714 | 1 | 21 |
| Glutamate receptor 4 | Rattus norvegicus (Norway rat) | Ki | 2.1400 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 1 | Rattus norvegicus (Norway rat) | IC50 | 23.0000 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 1 | Rattus norvegicus (Norway rat) | Ki | 0.0021 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 2 | Rattus norvegicus (Norway rat) | IC50 | 23.0000 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 2 | Rattus norvegicus (Norway rat) | Ki | 1,000.0000 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 3 | Rattus norvegicus (Norway rat) | IC50 | 23.0000 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 3 | Rattus norvegicus (Norway rat) | Ki | 1,764.6605 | 2 | 22 |
| Glutamate receptor ionotropic, kainate 4 | Rattus norvegicus (Norway rat) | IC50 | 23.0000 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 5 | Rattus norvegicus (Norway rat) | IC50 | 23.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 1 | Rattus norvegicus (Norway rat) | IC50 | 46.1340 | 5 | 5 |
| Glutamate receptor ionotropic, NMDA 2A | Rattus norvegicus (Norway rat) | IC50 | 51.1500 | 2 | 2 |
| Glutamate receptor ionotropic, NMDA 2B | Rattus norvegicus (Norway rat) | IC50 | 11.6500 | 2 | 2 |
| Glutamate receptor ionotropic, NMDA 2C | Rattus norvegicus (Norway rat) | IC50 | 51.1500 | 2 | 2 |
| Glutamate receptor ionotropic, NMDA 2D | Rattus norvegicus (Norway rat) | IC50 | 2.3000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 3A | Rattus norvegicus (Norway rat) | IC50 | 2.3000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 3B | Rattus norvegicus (Norway rat) | IC50 | 2.3000 | 1 | 1 |
| Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 | Homo sapiens (human) | IC50 | 0.4000 | 1 | 1 |
| Glutaminyl-peptide cyclotransferase | Homo sapiens (human) | IC50 | 45.2000 | 1 | 1 |
| Glutathione S-transferase P | Homo sapiens (human) | IC50 | 69.0000 | 1 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase | Homo sapiens (human) | IC50 | 165.9785 | 1 | 2 |
| Glycine receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | IC50 | 0.0510 | 1 | 1 |
| Glycine receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Ki | 0.0230 | 1 | 1 |
| Glycine receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | IC50 | 0.0510 | 1 | 1 |
| Glycine receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Ki | 0.0230 | 1 | 1 |
| Glycine receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | IC50 | 0.0510 | 1 | 1 |
| Glycine receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Ki | 0.0230 | 1 | 1 |
| Glycine receptor subunit beta | Rattus norvegicus (Norway rat) | IC50 | 0.0510 | 1 | 1 |
| Glycine receptor subunit beta | Rattus norvegicus (Norway rat) | Ki | 0.0230 | 1 | 1 |
| Glycogen phosphorylase, liver form | Rattus norvegicus (Norway rat) | IC50 | 101.0000 | 1 | 1 |
| Glycogen phosphorylase, muscle form | Oryctolagus cuniculus (rabbit) | IC50 | 44.3891 | 6 | 25 |
| Glycogen synthase kinase-3 alpha | Homo sapiens (human) | IC50 | 6.3640 | 4 | 5 |
| Glycogen synthase kinase-3 beta | Homo sapiens (human) | IC50 | 21.4592 | 12 | 13 |
| Glycogen synthase kinase-3 beta | Rattus norvegicus (Norway rat) | IC50 | 1.2662 | 2 | 9 |
| Glycogen synthase kinase-3 beta | Sus scrofa (pig) | IC50 | 12.2500 | 4 | 4 |
| Gonadotropin-releasing hormone receptor | Rattus norvegicus (Norway rat) | Ki | 6.5000 | 1 | 3 |
| Heat shock protein HSP 90-alpha | Homo sapiens (human) | IC50 | 3.8377 | 6 | 6 |
| Heat shock protein HSP 90-alpha | Homo sapiens (human) | Ki | 20.0000 | 1 | 1 |
| Heat shock protein HSP 90-beta | Homo sapiens (human) | IC50 | 0.1148 | 6 | 6 |
| Heat shock protein HSP 90-beta | Homo sapiens (human) | Ki | 20.0000 | 1 | 1 |
| Heme oxygenase 1 | Rattus norvegicus (Norway rat) | IC50 | 10.0000 | 1 | 1 |
| Heme oxygenase 2 | Rattus norvegicus (Norway rat) | IC50 | 10.0000 | 1 | 1 |
| Hepatocyte growth factor receptor | Homo sapiens (human) | IC50 | 15.0000 | 2 | 2 |
| Hexokinase-2 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Histamine H1 receptor | Homo sapiens (human) | IC50 | 1.2589 | 1 | 2 |
| Histamine H1 receptor | Rattus norvegicus (Norway rat) | IC50 | 1.2589 | 1 | 3 |
| Histamine H1 receptor | Homo sapiens (human) | Ki | 6,309,570,000.0000 | 1 | 1 |
| Histamine H1 receptor | Rattus norvegicus (Norway rat) | Ki | 6,309,570,000.0000 | 1 | 1 |
| Histamine H2 receptor | Homo sapiens (human) | Ki | 7.9433 | 1 | 1 |
| Histamine H3 receptor | Homo sapiens (human) | Ki | 6.3096 | 1 | 1 |
| Histamine H4 receptor | Homo sapiens (human) | Ki | 2.3377 | 2 | 5 |
| Histidine kinase | Caulobacter vibrioides | IC50 | 184.0000 | 1 | 1 |
| Histone acetyltransferase KAT2B | Homo sapiens (human) | IC50 | 162.5000 | 4 | 4 |
| Histone acetyltransferase KAT8 | Homo sapiens (human) | IC50 | 500.0000 | 1 | 1 |
| Histone acetyltransferase p300 | Homo sapiens (human) | IC50 | 63.0455 | 11 | 11 |
| Histone deacetylase 1 | Homo sapiens (human) | IC50 | 31.4286 | 7 | 7 |
| Histone deacetylase 1 | Homo sapiens (human) | Ki | 50.7900 | 1 | 1 |
| Histone deacetylase 11 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 2 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 2 | Homo sapiens (human) | Ki | 97.6700 | 1 | 1 |
| Histone deacetylase 3 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 4 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 5 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 6 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 7 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 8 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone deacetylase 8 | Homo sapiens (human) | Ki | 64.9800 | 1 | 1 |
| Histone deacetylase 9 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Histone-lysine N-methyltransferase 2A | Homo sapiens (human) | IC50 | 2.9200 | 1 | 1 |
| Histone-lysine N-methyltransferase EZH1 | Homo sapiens (human) | IC50 | 8.7700 | 1 | 1 |
| Histone-lysine N-methyltransferase NSD2 | Homo sapiens (human) | IC50 | 2.6500 | 1 | 1 |
| Histone-lysine N-methyltransferase SETD7 | Homo sapiens (human) | IC50 | 101.9950 | 2 | 4 |
| Histone-lysine N-methyltransferase SMYD3 | Homo sapiens (human) | IC50 | 18.2300 | 1 | 1 |
| Homeobox protein Nkx-2.5 | Mus musculus (house mouse) | IC50 | 24.0000 | 1 | 1 |
| Hyaluronidase-1 | Homo sapiens (human) | IC50 | 2,000.0000 | 1 | 1 |
| Hydroxycarboxylic acid receptor 2 | Homo sapiens (human) | IC50 | 29.6405 | 16 | 17 |
| Hydroxycarboxylic acid receptor 2 | Mus musculus (house mouse) | IC50 | 0.1400 | 3 | 3 |
| Hydroxycarboxylic acid receptor 2 | Homo sapiens (human) | Ki | 0.0787 | 3 | 3 |
| hypothetical protein SA1422 | Staphylococcus aureus subsp. aureus N315 | IC50 | 42.9000 | 2 | 2 |
| Hypoxanthine-guanine phosphoribosyltransferase | Homo sapiens (human) | Ki | 5.8000 | 2 | 2 |
| Hypoxia-inducible factor 1-alpha | Homo sapiens (human) | IC50 | 7.9254 | 8 | 8 |
| Ileal sodium/bile acid cotransporter | Homo sapiens (human) | Ki | 24.0000 | 1 | 1 |
| Indoleamine 2,3-dioxygenase 1 | Homo sapiens (human) | IC50 | 33.9625 | 4 | 4 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | Homo sapiens (human) | IC50 | 6.5350 | 2 | 2 |
| Inositol hexakisphosphate kinase 2 | Homo sapiens (human) | IC50 | 10.3400 | 1 | 5 |
| Inositol polyphosphate multikinase | Homo sapiens (human) | IC50 | 21.0400 | 1 | 5 |
| Insulin receptor | Rattus norvegicus (Norway rat) | IC50 | 0.0056 | 1 | 1 |
| Integrase | Human immunodeficiency virus 1 | IC50 | 60.1357 | 19 | 33 |
| integrase, partial | Human immunodeficiency virus 1 | IC50 | 23.3880 | 2 | 2 |
| Integrin alpha-V | Homo sapiens (human) | IC50 | 0.0340 | 1 | 1 |
| Integrin beta-3 | Homo sapiens (human) | IC50 | 0.0340 | 1 | 1 |
| Interleukin-2 | Mus musculus (house mouse) | IC50 | 0.0050 | 1 | 1 |
| Interleukin-6 | Homo sapiens (human) | IC50 | 0.2080 | 1 | 1 |
| Interstitial collagenase | Homo sapiens (human) | IC50 | 2.4330 | 2 | 2 |
| intestinal alkaline phosphatase precursor | Mus musculus (house mouse) | IC50 | 18.7000 | 1 | 1 |
| Islet amyloid polypeptide | Homo sapiens (human) | IC50 | 7.8000 | 1 | 1 |
| Isocitrate lyase | Candida albicans | IC50 | 44.6000 | 2 | 2 |
| Isocitrate lyase | Pyricularia oryzae 70-15 | IC50 | 12.6000 | 1 | 1 |
| Kappa-type opioid receptor | Cavia porcellus (domestic guinea pig) | IC50 | 5.0360 | 2 | 2 |
| Kappa-type opioid receptor | Homo sapiens (human) | Ki | 0.5651 | 22 | 51 |
| Kappa-type opioid receptor | Mus musculus (house mouse) | Ki | 0.0187 | 1 | 1 |
| Kappa-type opioid receptor | Rattus norvegicus (Norway rat) | Ki | 0.4921 | 22 | 23 |
| Kinesin-like protein KIF11 | Homo sapiens (human) | IC50 | 63.0000 | 1 | 1 |
| Kynureninase | Homo sapiens (human) | Ki | 60.0000 | 1 | 1 |
| L-lactate dehydrogenase A chain | Homo sapiens (human) | IC50 | 500.0000 | 1 | 1 |
| L-lactate dehydrogenase A chain | Homo sapiens (human) | Ki | 10.2500 | 1 | 2 |
| L-ornithine N(5)-monooxygenase | Aspergillus fumigatus Af293 | IC50 | 11.0000 | 2 | 2 |
| Lactoperoxidase | Bos taurus (cattle) | IC50 | 17.8000 | 1 | 1 |
| Lactoylglutathione lyase | Homo sapiens (human) | Ki | 50.5765 | 4 | 6 |
| large T antigen | Betapolyomavirus macacae | IC50 | 47.7133 | 1 | 3 |
| lens epithelium-derived growth factor p75 | Homo sapiens (human) | IC50 | 23.3880 | 2 | 2 |
| Lethal factor | Bacillus anthracis | IC50 | 2.3000 | 1 | 1 |
| Liver carboxylesterase 1 | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| Liver carboxylesterase 1 | Homo sapiens (human) | Ki | 29.7218 | 2 | 12 |
| Liver carboxylesterase 1 | Oryctolagus cuniculus (rabbit) | Ki | 27.8818 | 2 | 12 |
| Low molecular weight phosphotyrosine protein phosphatase | Bos taurus (cattle) | IC50 | 10.0000 | 1 | 1 |
| Low molecular weight phosphotyrosine protein phosphatase | Homo sapiens (human) | IC50 | 24.0000 | 2 | 2 |
| Lysine--tRNA ligase | Homo sapiens (human) | IC50 | 0.0277 | 1 | 1 |
| Lysine-specific histone demethylase 1A | Homo sapiens (human) | IC50 | 6.2433 | 3 | 3 |
| Lysophosphatidylserine lipase ABHD12 | Homo sapiens (human) | IC50 | 11.6000 | 1 | 1 |
| Lysosomal alpha-glucosidase | Homo sapiens (human) | IC50 | 76.9000 | 2 | 2 |
| Lysosomal alpha-glucosidase | Rattus norvegicus (Norway rat) | IC50 | 250.0000 | 2 | 2 |
| Lysozyme C-1 | Rattus norvegicus (Norway rat) | IC50 | 23.8500 | 1 | 2 |
| M-phase inducer phosphatase 1 | Homo sapiens (human) | IC50 | 7.6667 | 2 | 3 |
| M-phase inducer phosphatase 2 | Homo sapiens (human) | IC50 | 47.3000 | 2 | 3 |
| M18 aspartyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 | 1.2200 | 1 | 1 |
| Macrophage metalloelastase | Homo sapiens (human) | IC50 | 4.1825 | 4 | 4 |
| Macrophage migration inhibitory factor | Homo sapiens (human) | IC50 | 72.3783 | 5 | 8 |
| Macrophage migration inhibitory factor | Homo sapiens (human) | Ki | 39.5190 | 4 | 4 |
| Macrophage-expressed gene 1 protein | Homo sapiens (human) | IC50 | 9.1000 | 1 | 1 |
| Malate dehydrogenase | Thermus thermophilus | IC50 | 0.7000 | 1 | 1 |
| Maltase-glucoamylase, intestinal | Homo sapiens (human) | IC50 | 53.8000 | 1 | 1 |
| Maltase-glucoamylase, intestinal | Homo sapiens (human) | Ki | 2.3000 | 1 | 1 |
| MAP kinase-activated protein kinase 2 | Homo sapiens (human) | IC50 | 5.4000 | 1 | 1 |
| MAP kinase-activated protein kinase 5 | Homo sapiens (human) | IC50 | 1.9000 | 2 | 2 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | Homo sapiens (human) | IC50 | 0.6435 | 1 | 2 |
| Mast/stem cell growth factor receptor Kit | Homo sapiens (human) | IC50 | 18.8000 | 2 | 2 |
| Matrilysin | Homo sapiens (human) | IC50 | 0.0080 | 1 | 1 |
| Matrix metalloproteinase-9 | Homo sapiens (human) | IC50 | 24.2700 | 4 | 4 |
| Mcl-1 | Homo sapiens (human) | IC50 | 4.3002 | 1 | 2 |
| Melanocortin receptor 5 | Homo sapiens (human) | IC50 | 17.1330 | 1 | 1 |
| Melanocortin receptor 5 | Homo sapiens (human) | Ki | 16.0720 | 1 | 1 |
| Melatonin receptor type 1A | Homo sapiens (human) | Ki | 0.0402 | 1 | 1 |
| Melatonin receptor type 1B | Homo sapiens (human) | Ki | 0.0055 | 1 | 1 |
| Metabotropic glutamate receptor 1 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 2 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 3 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 4 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 5 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 6 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 7 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Metabotropic glutamate receptor 8 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Methionine aminopeptidase | Escherichia coli K-12 | IC50 | 10.0000 | 1 | 1 |
| Methylcytosine dioxygenase TET2 | Homo sapiens (human) | IC50 | 261.5000 | 1 | 1 |
| microphthalmia-associated transcription factor isoform 9 | Homo sapiens (human) | IC50 | 6.3810 | 3 | 3 |
| Microtubule-associated protein tau | Homo sapiens (human) | IC50 | 54.8750 | 4 | 4 |
| Microtubule-associated protein tau | Rattus norvegicus (Norway rat) | IC50 | 0.2000 | 1 | 1 |
| Mitogen-activated protein kinase 1 | Homo sapiens (human) | IC50 | 2.1608 | 5 | 5 |
| Mitogen-activated protein kinase 1 | Rattus norvegicus (Norway rat) | IC50 | 30.0000 | 1 | 1 |
| Mitogen-activated protein kinase 10 | Homo sapiens (human) | IC50 | 22.7622 | 1 | 23 |
| Mitogen-activated protein kinase 14 | Homo sapiens (human) | IC50 | 22.2760 | 3 | 26 |
| Mitogen-activated protein kinase 3 | Homo sapiens (human) | IC50 | 3.1570 | 1 | 1 |
| Mitogen-activated protein kinase kinase kinase 14 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Mitogen-activated protein kinase kinase kinase 7 | Homo sapiens (human) | IC50 | 0.3040 | 8 | 9 |
| MO15-related protein kinase Pfmrk | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 7.0000 | 1 | 1 |
| Monoacylglycerol lipase ABHD6 | Homo sapiens (human) | IC50 | 48.2000 | 1 | 1 |
| Monocarboxylate transporter 10 | Rattus norvegicus (Norway rat) | Ki | 1,500.0000 | 1 | 1 |
| Monocarboxylate transporter 2 | Rattus norvegicus (Norway rat) | Ki | 800.0000 | 1 | 1 |
| Monoglyceride lipase | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| MPI protein | Homo sapiens (human) | IC50 | 29.0070 | 1 | 1 |
| Mu-type opioid receptor | Cavia porcellus (domestic guinea pig) | IC50 | 1,815.8885 | 4 | 26 |
| Mu-type opioid receptor | Mus musculus (house mouse) | IC50 | 126.0000 | 1 | 1 |
| Mu-type opioid receptor | Cavia porcellus (domestic guinea pig) | Ki | 0.0520 | 1 | 1 |
| Mu-type opioid receptor | Homo sapiens (human) | Ki | 5.8596 | 11 | 15 |
| Mu-type opioid receptor | Rattus norvegicus (Norway rat) | Ki | 7.0000 | 4 | 4 |
| Mucin-1 | Homo sapiens (human) | IC50 | 76.0000 | 1 | 1 |
| Multidrug and toxin extrusion protein 1 | Homo sapiens (human) | IC50 | 500.0000 | 1 | 1 |
| Multidrug resistance protein CDR1 | Candida albicans | IC50 | 40.0000 | 1 | 1 |
| Multidrug resistance-associated protein 1 | Homo sapiens (human) | IC50 | 3.4620 | 11 | 11 |
| Multidrug resistance-associated protein 1 | Homo sapiens (human) | Ki | 4.1000 | 3 | 3 |
| Multidrug resistance-associated protein 4 | Homo sapiens (human) | IC50 | 133.0000 | 1 | 4 |
| Muscarinic acetylcholine receptor | Cavia porcellus (domestic guinea pig) | IC50 | 65.0000 | 1 | 1 |
| Muscarinic acetylcholine receptor M1 | Homo sapiens (human) | IC50 | 68.7256 | 5 | 5 |
| Muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | IC50 | 68.9152 | 12 | 24 |
| Muscarinic acetylcholine receptor M1 | Homo sapiens (human) | Ki | 12.1541 | 6 | 6 |
| Muscarinic acetylcholine receptor M1 | Mus musculus (house mouse) | Ki | 0.0044 | 2 | 2 |
| Muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | Ki | 27.0963 | 8 | 10 |
| Muscarinic acetylcholine receptor M2 | Homo sapiens (human) | IC50 | 5.8165 | 3 | 4 |
| Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | IC50 | 17.1331 | 8 | 13 |
| Muscarinic acetylcholine receptor M2 | Homo sapiens (human) | Ki | 2.4571 | 8 | 8 |
| Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | Ki | 1.8327 | 5 | 6 |
| Muscarinic acetylcholine receptor M3 | Homo sapiens (human) | IC50 | 29.3347 | 3 | 3 |
| Muscarinic acetylcholine receptor M3 | Rattus norvegicus (Norway rat) | IC50 | 18.5117 | 7 | 12 |
| Muscarinic acetylcholine receptor M3 | Homo sapiens (human) | Ki | 12.5636 | 5 | 5 |
| Muscarinic acetylcholine receptor M3 | Rattus norvegicus (Norway rat) | Ki | 2.7760 | 5 | 6 |
| Muscarinic acetylcholine receptor M4 | Homo sapiens (human) | IC50 | 30.5000 | 2 | 2 |
| Muscarinic acetylcholine receptor M4 | Rattus norvegicus (Norway rat) | IC50 | 18.5117 | 7 | 12 |
| Muscarinic acetylcholine receptor M4 | Homo sapiens (human) | Ki | 12.5193 | 6 | 6 |
| Muscarinic acetylcholine receptor M4 | Rattus norvegicus (Norway rat) | Ki | 2.2260 | 5 | 6 |
| Muscarinic acetylcholine receptor M5 | Homo sapiens (human) | IC50 | 46.6320 | 2 | 2 |
| Muscarinic acetylcholine receptor M5 | Rattus norvegicus (Norway rat) | IC50 | 18.5117 | 7 | 12 |
| Muscarinic acetylcholine receptor M5 | Homo sapiens (human) | Ki | 28.8774 | 5 | 5 |
| Muscarinic acetylcholine receptor M5 | Rattus norvegicus (Norway rat) | Ki | 2.1913 | 4 | 5 |
| Myeloperoxidase | Homo sapiens (human) | IC50 | 4.7950 | 1 | 2 |
| Myosin light chain kinase 2, skeletal/cardiac muscle | Oryctolagus cuniculus (rabbit) | IC50 | 5.1000 | 1 | 1 |
| N-acylethanolamine-hydrolyzing acid amidase | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| N-formyl peptide receptor 2 | Homo sapiens (human) | IC50 | 0.0119 | 6 | 6 |
| NACHT, LRR and PYD domains-containing protein 3 | Homo sapiens (human) | IC50 | 11.4600 | 4 | 4 |
| NAD-dependent histone deacetylase SIR2 | Saccharomyces cerevisiae S288C | IC50 | 50.0000 | 1 | 1 |
| NAD-dependent protein deacetylase | Schistosoma mansoni | IC50 | 221.5500 | 2 | 2 |
| NAD-dependent protein deacetylase HST2 | Saccharomyces cerevisiae S288C | IC50 | 395.5000 | 1 | 2 |
| NAD-dependent protein deacetylase sirtuin-1 | Homo sapiens (human) | IC50 | 197.9571 | 12 | 14 |
| NAD-dependent protein deacetylase sirtuin-2 | Homo sapiens (human) | IC50 | 28.2214 | 14 | 14 |
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial | Homo sapiens (human) | IC50 | 78.4571 | 7 | 7 |
| NAD-dependent protein deacetylase sirtuin-6 | Homo sapiens (human) | IC50 | 173.3500 | 4 | 4 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | Homo sapiens (human) | IC50 | 58.2000 | 3 | 3 |
| NAD(+) hydrolase SARM1 | Homo sapiens (human) | IC50 | 43.8000 | 1 | 1 |
| NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial | Bos taurus (cattle) | IC50 | 0.0051 | 1 | 1 |
| NADH-ubiquinone oxidoreductase chain 1 | Bos taurus (cattle) | IC50 | 0.0150 | 2 | 2 |
| NADPH oxidase 4 | Homo sapiens (human) | IC50 | 1.0750 | 1 | 2 |
| Neprilysin | Mus musculus (house mouse) | IC50 | 1.0000 | 1 | 1 |
| Neprilysin | Rattus norvegicus (Norway rat) | IC50 | 1.0000 | 1 | 2 |
| Neuraminidase | Influenza A virus (A/USSR/90/1977(H1N1)) | IC50 | 52.5167 | 4 | 6 |
| Neuraminidase | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Ki | 14.3000 | 1 | 1 |
| Neuraminidase | Influenza A virus (A/Wilson-Smith/1933(H1N1)) | IC50 | 40.3331 | 7 | 13 |
| Neuraminidase | Influenza A virus (A/Wilson-Smith/1933(H1N1)) | Ki | 39.3500 | 1 | 4 |
| Neuromedin-B receptor | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Ki | 0.2700 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 | Rattus norvegicus (Norway rat) | IC50 | 36.2900 | 1 | 1 |
| Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Ki | 0.2700 | 2 | 2 |
| Neuronal proto-oncogene tyrosine-protein kinase Src | Mus musculus (house mouse) | IC50 | 2.2000 | 1 | 1 |
| Neutral amino acid transporter A | Homo sapiens (human) | IC50 | 3,373.0000 | 1 | 1 |
| Neutral amino acid transporter B(0) | Homo sapiens (human) | IC50 | 541.0000 | 1 | 1 |
| neutrophil cytosol factor 1 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Neutrophil elastase | Homo sapiens (human) | IC50 | 19.1075 | 3 | 4 |
| Neutrophil elastase | Homo sapiens (human) | Ki | 32.8000 | 1 | 2 |
| Nicotinamidase | Saccharomyces cerevisiae S288C | Ki | 2,000.0000 | 1 | 1 |
| Nicotinamide N-methyltransferase | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| Nicotinate phosphoribosyltransferase | Homo sapiens (human) | Ki | 0.0005 | 1 | 2 |
| Nischarin | Homo sapiens (human) | Ki | 6.9110 | 2 | 2 |
| Nitric oxide synthase, inducible | Mus musculus (house mouse) | IC50 | 17.2143 | 3 | 7 |
| Non-lysosomal glucosylceramidase | Homo sapiens (human) | IC50 | 19.0000 | 1 | 1 |
| Nuclear factor NF-kappa-B p100 subunit | Homo sapiens (human) | IC50 | 22.5826 | 5 | 5 |
| Nuclear factor NF-kappa-B p105 subunit | Homo sapiens (human) | IC50 | 23.8431 | 9 | 9 |
| Nuclear receptor ROR-alpha | Mus musculus (house mouse) | IC50 | 11.3000 | 1 | 1 |
| nuclear receptor subfamily 0 group B member 1 | Homo sapiens (human) | IC50 | 33.9400 | 2 | 2 |
| Nuclear receptor subfamily 2 group C member 2 | Homo sapiens (human) | IC50 | 0.0090 | 1 | 1 |
| Nuclear receptor subfamily 4 group A member 2 | Homo sapiens (human) | IC50 | 48.0000 | 2 | 2 |
| Nucleotide-binding oligomerization domain-containing protein 2 | Homo sapiens (human) | IC50 | 7.9433 | 1 | 1 |
| nucleotide-binding oligomerization domain-containing protein 2 isoform 1 | Homo sapiens (human) | IC50 | 8.0770 | 1 | 1 |
| Oligo-1,6-glucosidase IMA1 | Saccharomyces cerevisiae S288C | IC50 | 160.0000 | 1 | 1 |
| P2Y purinoceptor 12 | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| Palmitoleoyl-protein carboxylesterase NOTUM | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Pancreatic alpha-amylase | Sus scrofa (pig) | IC50 | 103.1460 | 3 | 5 |
| Pancreatic triacylglycerol lipase | Sus scrofa (pig) | IC50 | 192.5000 | 3 | 4 |
| Peptidyl-prolyl cis-trans isomerase A | Homo sapiens (human) | IC50 | 0.0252 | 12 | 12 |
| Peptidyl-prolyl cis-trans isomerase A | Homo sapiens (human) | Ki | 0.0645 | 8 | 8 |
| Peptidyl-prolyl cis-trans isomerase B | Homo sapiens (human) | IC50 | 0.0088 | 1 | 1 |
| Peptidyl-prolyl cis-trans isomerase D | Homo sapiens (human) | IC50 | 0.0036 | 1 | 1 |
| Peptidyl-prolyl cis-trans isomerase D | Homo sapiens (human) | Ki | 0.0129 | 4 | 4 |
| Peptidyl-prolyl cis-trans isomerase FKBP1A | Homo sapiens (human) | Ki | 0.0200 | 1 | 1 |
| Peptidyl-prolyl cis-trans isomerase FKBP1B | Homo sapiens (human) | Ki | 0.0060 | 1 | 1 |
| Peptidyl-prolyl cis-trans isomerase FKBP4 | Homo sapiens (human) | IC50 | 0.0160 | 1 | 1 |
| Peptidylglycine alpha-amidating monooxygenase | Rattus norvegicus (Norway rat) | Ki | 0.0060 | 1 | 1 |
| perilipin-1 | Homo sapiens (human) | IC50 | 9.1670 | 1 | 1 |
| perilipin-5 | Homo sapiens (human) | IC50 | 10.2320 | 1 | 1 |
| Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Homo sapiens (human) | Ki | 1,085.0000 | 1 | 2 |
| Peroxisome proliferator-activated receptor gamma | Homo sapiens (human) | IC50 | 8.6700 | 2 | 2 |
| Phenol oxidase | Plutella xylostella (diamondback moth) | IC50 | 259.3300 | 1 | 2 |
| Phenylethanolamine N-methyltransferase | Bos taurus (cattle) | IC50 | 664.0000 | 1 | 1 |
| Phosphatidylcholine 2-acylhydrolase | Apis mellifera (honey bee) | IC50 | 0.0400 | 1 | 1 |
| Phosphatidylcholine:ceramide cholinephosphotransferase 1 | Mus musculus (house mouse) | IC50 | 12.0000 | 2 | 2 |
| Phosphatidylcholine:ceramide cholinephosphotransferase 1 | Homo sapiens (human) | IC50 | 2.5000 | 2 | 2 |
| Phosphatidylcholine:ceramide cholinephosphotransferase 2 | Homo sapiens (human) | IC50 | 1.2500 | 2 | 2 |
| Phosphatidylcholine:ceramide cholinephosphotransferase 2 | Mus musculus (house mouse) | IC50 | 12.0000 | 2 | 2 |
| Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Homo sapiens (human) | IC50 | 13.3000 | 1 | 1 |
| Phosphatidylinositol 4-kinase alpha | Homo sapiens (human) | IC50 | 161.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase alpha | Homo sapiens (human) | Ki | 110.9000 | 1 | 1 |
| Phosphatidylinositol 4-kinase beta | Homo sapiens (human) | IC50 | 161.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase beta | Homo sapiens (human) | Ki | 110.9000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-alpha | Homo sapiens (human) | IC50 | 161.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-alpha | Homo sapiens (human) | Ki | 110.9000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-beta | Homo sapiens (human) | IC50 | 161.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-beta | Homo sapiens (human) | Ki | 110.9000 | 1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Homo sapiens (human) | IC50 | 0.1000 | 1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Mus musculus (house mouse) | IC50 | 0.5700 | 1 | 1 |
| Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | Rattus norvegicus (Norway rat) | Ki | 441.0000 | 1 | 1 |
| Phospholipase A-2-activating protein | Homo sapiens (human) | IC50 | 0.0110 | 1 | 1 |
| Phospholipase A2 | Apis mellifera (honey bee) | IC50 | 13.3571 | 7 | 7 |
| Phospholipase A2 | Homo sapiens (human) | IC50 | 7.5000 | 2 | 2 |
| Phospholipase A2, membrane associated | Homo sapiens (human) | IC50 | 320.9800 | 5 | 5 |
| Phospholipase A2, membrane associated | Rattus norvegicus (Norway rat) | IC50 | 1,019.2000 | 2 | 2 |
| Phospholipase D1 | Homo sapiens (human) | IC50 | 13.2500 | 1 | 2 |
| Phospholipase D2 | Homo sapiens (human) | IC50 | 13.2500 | 1 | 2 |
| photoreceptor-specific nuclear receptor | Homo sapiens (human) | IC50 | 1.9210 | 1 | 1 |
| Plasminogen | Homo sapiens (human) | IC50 | 53.2500 | 2 | 2 |
| Plasminogen | Homo sapiens (human) | Ki | 53,000.0000 | 1 | 1 |
| Platelet-activating factor acetylhydrolase | Homo sapiens (human) | IC50 | 3.9000 | 1 | 1 |
| Poly [ADP-ribose] polymerase 1 | Homo sapiens (human) | IC50 | 141.1829 | 7 | 10 |
| Poly [ADP-ribose] polymerase 2 | Mus musculus (house mouse) | IC50 | 129.5245 | 1 | 2 |
| Poly [ADP-ribose] polymerase tankyrase-1 | Homo sapiens (human) | IC50 | 1.2599 | 2 | 6 |
| Poly [ADP-ribose] polymerase tankyrase-2 | Homo sapiens (human) | IC50 | 1.5348 | 1 | 4 |
| polyadenylate-binding protein 1 | Homo sapiens (human) | IC50 | 66.0000 | 2 | 2 |
| Polyamine deacetylase HDAC10 | Homo sapiens (human) | IC50 | 54.2500 | 4 | 4 |
| Polymerase acidic protein | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | IC50 | 199.7630 | 1 | 2 |
| Polyphenol oxidase 2 | Agaricus bisporus | IC50 | 284.1391 | 14 | 23 |
| Polyphenol oxidase 2 | Agaricus bisporus | Ki | 17.1143 | 6 | 7 |
| Polyunsaturated fatty acid 5-lipoxygenase | Homo sapiens (human) | IC50 | 31.3639 | 16 | 23 |
| Polyunsaturated fatty acid 5-lipoxygenase | Rattus norvegicus (Norway rat) | IC50 | 67.5000 | 1 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase | Homo sapiens (human) | Ki | 27.0000 | 1 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | Homo sapiens (human) | IC50 | 61.9300 | 3 | 5 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Homo sapiens (human) | IC50 | 50.2043 | 5 | 7 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Oryctolagus cuniculus (rabbit) | IC50 | 52.0465 | 2 | 2 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | IC50 | 85.0000 | 5 | 8 |
| Potassium voltage-gated channel subfamily A member 1 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 2 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 3 | Homo sapiens (human) | IC50 | 4.7000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 3 | Rattus norvegicus (Norway rat) | IC50 | 0.8200 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 4 | Homo sapiens (human) | IC50 | 2.1000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 4 | Rattus norvegicus (Norway rat) | IC50 | 5.7000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 5 | Homo sapiens (human) | IC50 | 16.0000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 6 | Homo sapiens (human) | IC50 | 4.9000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 6 | Rattus norvegicus (Norway rat) | IC50 | 10.0000 | 1 | 1 |
| Potassium voltage-gated channel subfamily H member 2 | Homo sapiens (human) | IC50 | 146.1639 | 6 | 9 |
| Probable maltase-glucoamylase 2 | Homo sapiens (human) | IC50 | 53.8000 | 1 | 1 |
| Procathepsin L | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Prolyl 4-hydroxylase | Paramecium bursaria Chlorella virus 1 | IC50 | 1,000.0000 | 1 | 1 |
| Prolyl 4-hydroxylase subunit alpha-1 | Gallus gallus (chicken) | Ki | 5,050.0000 | 1 | 2 |
| Prolyl endopeptidase | Homo sapiens (human) | IC50 | 162.3333 | 3 | 3 |
| Prostaglandin E synthase | Homo sapiens (human) | IC50 | 1.8000 | 3 | 3 |
| Prostaglandin G/H synthase 1 | Homo sapiens (human) | IC50 | 18,057.7452 | 4 | 10 |
| Prostaglandin G/H synthase 1 | Ovis aries (sheep) | IC50 | 91.8658 | 7 | 12 |
| Prostaglandin G/H synthase 1 | Rattus norvegicus (Norway rat) | IC50 | 15.0000 | 1 | 1 |
| Prostaglandin G/H synthase 2 | Homo sapiens (human) | IC50 | 6,038.4817 | 12 | 20 |
| Prostaglandin G/H synthase 2 | Rattus norvegicus (Norway rat) | IC50 | 15.0000 | 1 | 1 |
| Protease | Human immunodeficiency virus 1 | IC50 | 57.0417 | 3 | 3 |
| Protease | Human immunodeficiency virus 1 | Ki | 0.0003 | 13 | 13 |
| Proteasome subunit beta type-5 | Homo sapiens (human) | IC50 | 3.9997 | 6 | 7 |
| Proteasome subunit beta type-8 | Homo sapiens (human) | IC50 | 13.0000 | 1 | 1 |
| Protein arginine N-methyltransferase 1 | Homo sapiens (human) | IC50 | 928.0000 | 1 | 1 |
| Protein cereblon | Homo sapiens (human) | IC50 | 65.7000 | 1 | 1 |
| Protein cereblon | Homo sapiens (human) | Ki | 30.8000 | 1 | 1 |
| Protein disulfide-isomerase | Homo sapiens (human) | Ki | 36.1000 | 1 | 1 |
| Protein E6 | Human papillomavirus 16 | IC50 | 4.0000 | 1 | 1 |
| Protein kinase C alpha type | Homo sapiens (human) | IC50 | 93.6500 | 4 | 4 |
| Protein kinase C alpha type | Bos taurus (cattle) | Ki | 0.0048 | 1 | 1 |
| Protein kinase C alpha type | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Protein kinase C beta type | Homo sapiens (human) | IC50 | 183.3333 | 2 | 3 |
| Protein kinase C beta type | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Protein kinase C delta type | Homo sapiens (human) | IC50 | 85.3333 | 3 | 3 |
| Protein kinase C delta type | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Protein kinase C epsilon type | Homo sapiens (human) | IC50 | 183.3333 | 2 | 3 |
| Protein kinase C epsilon type | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Protein kinase C eta type | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Protein kinase C eta type | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Protein kinase C gamma type | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Protein kinase C gamma type | Homo sapiens (human) | Ki | 0.1406 | 3 | 3 |
| Protein kinase C iota type | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Protein kinase C theta type | Homo sapiens (human) | IC50 | 175.0000 | 2 | 2 |
| Protein kinase C theta type | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Protein kinase C zeta type | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| Protein tyrosine phosphatase type IVA 3 | Homo sapiens (human) | IC50 | 25.8000 | 1 | 1 |
| Protein-glutamine gamma-glutamyltransferase 2 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Prothrombin | Homo sapiens (human) | IC50 | 0.2500 | 1 | 1 |
| Proto-oncogene tyrosine-protein kinase Src | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Proto-oncogene tyrosine-protein kinase Src | Rattus norvegicus (Norway rat) | IC50 | 0.1800 | 1 | 1 |
| Proton-coupled amino acid transporter 1 | Homo sapiens (human) | Ki | 15,766.6667 | 1 | 3 |
| Purine nucleoside phosphorylase | Homo sapiens (human) | Ki | 1,766.6667 | 3 | 3 |
| Pyruvate kinase PKM | Homo sapiens (human) | IC50 | 28.6544 | 9 | 9 |
| Quinolone resistance protein NorA | Staphylococcus aureus | IC50 | 15.0000 | 1 | 1 |
| rac GTPase-activating protein 1 isoform a | Homo sapiens (human) | IC50 | 41.3000 | 1 | 2 |
| RAC-alpha serine/threonine-protein kinase | Homo sapiens (human) | IC50 | 0.2268 | 4 | 4 |
| RAF proto-oncogene serine/threonine-protein kinase | Homo sapiens (human) | IC50 | 2.5000 | 1 | 1 |
| Receptor protein-tyrosine kinase | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Receptor tyrosine-protein kinase erbB-2 | Homo sapiens (human) | IC50 | 14.4123 | 2 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 | Homo sapiens (human) | IC50 | 6.6300 | 2 | 5 |
| Receptor-type tyrosine-protein phosphatase alpha | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| Receptor-type tyrosine-protein phosphatase epsilon | Homo sapiens (human) | IC50 | 270.0000 | 2 | 2 |
| Receptor-type tyrosine-protein phosphatase eta | Homo sapiens (human) | IC50 | 65.7500 | 2 | 2 |
| Receptor-type tyrosine-protein phosphatase F | Homo sapiens (human) | IC50 | 42.8000 | 2 | 2 |
| Receptor-type tyrosine-protein phosphatase S | Homo sapiens (human) | IC50 | 7.4667 | 1 | 3 |
| Regulator of G-protein signaling 17 | Homo sapiens (human) | IC50 | 21.5899 | 5 | 8 |
| Replicase polyprotein 1a | Severe acute respiratory syndrome-related coronavirus | IC50 | 156.3500 | 1 | 2 |
| Replicase polyprotein 1a | Severe acute respiratory syndrome-related coronavirus | Ki | 7.0000 | 1 | 2 |
| Replicase polyprotein 1ab | Betacoronavirus England 1 | IC50 | 10.0000 | 1 | 3 |
| Replicase polyprotein 1ab | Human coronavirus 229E | IC50 | 156.3500 | 1 | 2 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | IC50 | 25.8314 | 7 | 21 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome-related coronavirus | IC50 | 75.9643 | 6 | 21 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Ki | 17.2000 | 1 | 2 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome-related coronavirus | Ki | 14.1000 | 4 | 7 |
| Retinoic acid receptor alpha | Homo sapiens (human) | IC50 | 0.0070 | 1 | 1 |
| Retinoic acid receptor alpha | Mus musculus (house mouse) | IC50 | 0.0310 | 1 | 1 |
| Retinoic acid receptor alpha | Homo sapiens (human) | Ki | 0.0223 | 1 | 1 |
| retinoic acid receptor alpha isoform 1 | Homo sapiens (human) | IC50 | 0.0084 | 1 | 1 |
| Retinoic acid receptor beta | Homo sapiens (human) | IC50 | 0.0070 | 1 | 1 |
| Retinoic acid receptor beta | Homo sapiens (human) | Ki | 0.0109 | 1 | 1 |
| Retinoic acid receptor gamma | Homo sapiens (human) | IC50 | 0.0170 | 1 | 1 |
| Retinoic acid receptor gamma | Homo sapiens (human) | Ki | 0.0105 | 2 | 2 |
| Retinoic acid receptor RXR-alpha | Homo sapiens (human) | IC50 | 0.0305 | 2 | 2 |
| Retinoic acid receptor RXR-alpha | Mus musculus (house mouse) | IC50 | 0.0820 | 1 | 1 |
| Retinoic acid receptor RXR-alpha | Homo sapiens (human) | Ki | 0.2179 | 5 | 5 |
| retinoic acid receptor RXR-alpha isoform a | Homo sapiens (human) | IC50 | 0.0189 | 1 | 1 |
| Retinoic acid receptor RXR-beta | Homo sapiens (human) | IC50 | 0.0120 | 1 | 1 |
| Retinoic acid receptor RXR-beta | Homo sapiens (human) | Ki | 0.0067 | 3 | 3 |
| Retinoic acid receptor RXR-gamma | Homo sapiens (human) | IC50 | 0.0040 | 1 | 1 |
| Retinoic acid receptor RXR-gamma | Homo sapiens (human) | Ki | 0.0127 | 3 | 3 |
| Reverse transcriptase/RNaseH | Human immunodeficiency virus 1 | IC50 | 116.3269 | 5 | 8 |
| Ribonuclease pancreatic | Homo sapiens (human) | IC50 | 312.0000 | 1 | 1 |
| Ribonuclease pancreatic | Bos taurus (cattle) | Ki | 75.3667 | 3 | 3 |
| Ribonuclease pancreatic | Homo sapiens (human) | Ki | 103.0000 | 1 | 1 |
| RmtA | Aspergillus nidulans | IC50 | 590.0000 | 1 | 1 |
| RNA-directed RNA polymerase | | IC50 | 1.6000 | 1 | 1 |
| RuvB-like 1 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | Oryctolagus cuniculus (rabbit) | IC50 | 32.5000 | 2 | 2 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | Oryctolagus cuniculus (rabbit) | Ki | 5.8000 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | Homo sapiens (human) | IC50 | 7.0000 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | Homo sapiens (human) | Ki | 53.0000 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | Rattus norvegicus (Norway rat) | Ki | 5.8000 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 | Homo sapiens (human) | IC50 | 7.0000 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 | Homo sapiens (human) | Ki | 8.6000 | 1 | 1 |
| Seed linoleate 13S-lipoxygenase-1 | Glycine max (soybean) | IC50 | 6.7500 | 1 | 2 |
| Seed linoleate 13S-lipoxygenase-1 | Glycine max (soybean) | Ki | 178.3000 | 1 | 1 |
| Seminal ribonuclease | Bos taurus (cattle) | Ki | 27.9000 | 1 | 1 |
| Sentrin-specific protease 1 | Homo sapiens (human) | IC50 | 12.0000 | 3 | 4 |
| sentrin-specific protease 8 | Homo sapiens (human) | IC50 | 13.3000 | 1 | 1 |
| Serine/threonine-protein kinase D1 | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Serine/threonine-protein kinase D1 | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Serine/threonine-protein kinase D3 | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Serine/threonine-protein kinase D3 | Homo sapiens (human) | Ki | 0.2000 | 2 | 2 |
| Serine/threonine-protein kinase haspin | Homo sapiens (human) | IC50 | 0.5900 | 1 | 1 |
| Serine/threonine-protein kinase PAK 1 | Homo sapiens (human) | IC50 | 16.0000 | 1 | 1 |
| Serine/threonine-protein kinase pim-1 | Homo sapiens (human) | IC50 | 26.6433 | 5 | 9 |
| Serine/threonine-protein kinase pim-3 | Homo sapiens (human) | IC50 | 4.3000 | 1 | 1 |
| Serine/threonine-protein kinase PLK1 | Homo sapiens (human) | IC50 | 12.6000 | 1 | 1 |
| Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform | Homo sapiens (human) | IC50 | 0.1830 | 1 | 1 |
| Serum paraoxonase/arylesterase 1 | Homo sapiens (human) | Ki | 16.5000 | 1 | 1 |
| Short transient receptor potential channel 5 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Sialidase | Clostridium perfringens | IC50 | 26.7908 | 2 | 6 |
| Sialidase | Clostridium perfringens | Ki | 0.1748 | 2 | 2 |
| Sialidase A | Streptococcus pneumoniae | IC50 | 98.6000 | 1 | 2 |
| Sialidase A | Streptococcus pneumoniae | Ki | 0.1000 | 1 | 1 |
| Sialidase-2 | Homo sapiens (human) | IC50 | 537.5000 | 1 | 6 |
| Sigma non-opioid intracellular receptor 1 | Cavia porcellus (domestic guinea pig) | IC50 | 10.0000 | 1 | 1 |
| Signal transducer and activator of transcription 3 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Similar to alpha-tubulin isoform 1 | Bos taurus (cattle) | IC50 | 17.8889 | 5 | 9 |
| Sodium- and chloride-dependent betaine transporter | Mus musculus (house mouse) | IC50 | 812.8310 | 1 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 | Mus musculus (house mouse) | IC50 | 333.3568 | 2 | 2 |
| Sodium- and chloride-dependent GABA transporter 2 | Mus musculus (house mouse) | IC50 | 116.2095 | 2 | 3 |
| Sodium- and chloride-dependent GABA transporter 3 | Mus musculus (house mouse) | IC50 | 47.7374 | 2 | 3 |
| Sodium- and chloride-dependent glycine transporter 1 | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| Sodium- and chloride-dependent glycine transporter 2 | Homo sapiens (human) | IC50 | 0.5000 | 2 | 2 |
| Sodium-dependent dopamine transporter | Rattus norvegicus (Norway rat) | IC50 | 27.9567 | 2 | 3 |
| Sodium-dependent dopamine transporter | Bos taurus (cattle) | Ki | 10.0000 | 1 | 1 |
| Sodium-dependent dopamine transporter | Homo sapiens (human) | IC50 | 7.6980 | 1 | 2 |
| Sodium-dependent dopamine transporter | Homo sapiens (human) | Ki | 6.1160 | 1 | 2 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | IC50 | 32.7170 | 1 | 2 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | Ki | 22.7180 | 2 | 3 |
| Sodium-dependent serotonin transporter | Homo sapiens (human) | IC50 | 6.9730 | 1 | 1 |
| Sodium-dependent serotonin transporter | Homo sapiens (human) | Ki | 6.8520 | 2 | 2 |
| Sodium/bile acid cotransporter | Homo sapiens (human) | IC50 | 55.0000 | 2 | 2 |
| Sodium/potassium-transporting ATPase subunit alpha-1 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-2 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-3 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-4 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit beta-1 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit beta-2 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit beta-3 | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit gamma | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Solute carrier family 15 member 1 | Homo sapiens (human) | IC50 | 1,848.0152 | 2 | 25 |
| Solute carrier family 15 member 1 | Homo sapiens (human) | Ki | 1,822.0553 | 4 | 43 |
| Solute carrier family 15 member 1 | Rattus norvegicus (Norway rat) | Ki | 775.0000 | 1 | 10 |
| Solute carrier family 15 member 2 | Homo sapiens (human) | Ki | 338.4393 | 2 | 35 |
| Solute carrier family 15 member 2 | Rattus norvegicus (Norway rat) | Ki | 41.8000 | 1 | 10 |
| Solute carrier family 2, facilitated glucose transporter member 1 | Homo sapiens (human) | IC50 | 4.1000 | 1 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 3 | Homo sapiens (human) | IC50 | 3.9000 | 1 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 4 | Homo sapiens (human) | IC50 | 3.9000 | 1 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 9 | Homo sapiens (human) | IC50 | 1,000.0000 | 1 | 1 |
| Solute carrier family 22 member 1 | Mus musculus (house mouse) | IC50 | 7,337.0000 | 1 | 1 |
| Solute carrier family 22 member 1 | Rattus norvegicus (Norway rat) | Ki | 834.6000 | 2 | 2 |
| Solute carrier family 22 member 1 | Homo sapiens (human) | IC50 | 88.7600 | 1 | 1 |
| Solute carrier family 22 member 1 | Homo sapiens (human) | Ki | 7,700.0000 | 1 | 1 |
| Solute carrier family 22 member 11 | Homo sapiens (human) | IC50 | 591.0000 | 1 | 1 |
| Solute carrier family 22 member 12 | Homo sapiens (human) | IC50 | 2.0000 | 1 | 1 |
| Solute carrier family 22 member 12 | Rattus norvegicus (Norway rat) | IC50 | 18.0000 | 1 | 1 |
| Solute carrier family 22 member 12 | Homo sapiens (human) | Ki | 5.7400 | 1 | 1 |
| Solute carrier family 22 member 2 | Mus musculus (house mouse) | IC50 | 13,661.0000 | 1 | 1 |
| Solute carrier family 22 member 2 | Rattus norvegicus (Norway rat) | IC50 | 1,560.0000 | 1 | 1 |
| Solute carrier family 22 member 2 | Homo sapiens (human) | Ki | 266.0000 | 1 | 1 |
| Solute carrier family 22 member 2 | Rattus norvegicus (Norway rat) | Ki | 403.4000 | 1 | 1 |
| Solute carrier family 22 member 6 | Homo sapiens (human) | IC50 | 2,135.0000 | 2 | 2 |
| Solute carrier family 22 member 6 | Rattus norvegicus (Norway rat) | Ki | 601.0000 | 2 | 2 |
| Solute carrier family 22 member 7 | Homo sapiens (human) | IC50 | 352.0000 | 1 | 1 |
| Solute carrier family 22 member 7 | Rattus norvegicus (Norway rat) | IC50 | 449.0000 | 1 | 1 |
| Solute carrier family 22 member 8 | Homo sapiens (human) | IC50 | 1,762.3500 | 2 | 2 |
| Solute carrier family 22 member 8 | Rattus norvegicus (Norway rat) | IC50 | 15.6000 | 1 | 1 |
| Solute carrier family 22 member 8 | Homo sapiens (human) | Ki | 34.7000 | 1 | 1 |
| Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) | IC50 | 1.5540 | 7 | 8 |
| Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) | Ki | 1.1783 | 6 | 7 |
| Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) | IC50 | 17.0067 | 3 | 4 |
| Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) | Ki | 9.8450 | 7 | 8 |
| Solute carrier organic anion transporter family member 2B1 | Homo sapiens (human) | IC50 | 113.5000 | 1 | 2 |
| Solute carrier organic anion transporter family member 2B1 | Homo sapiens (human) | Ki | 108.0000 | 1 | 2 |
| Sortase A | Streptococcus mutans | IC50 | 18.7000 | 1 | 2 |
| Sphingosine kinase 1 | Homo sapiens (human) | IC50 | 24.8260 | 5 | 5 |
| Sphingosine kinase 1 | Homo sapiens (human) | Ki | 9.0000 | 3 | 3 |
| Sphingosine kinase 2 | Homo sapiens (human) | IC50 | 42.0967 | 3 | 3 |
| Sphingosine kinase 2 | Homo sapiens (human) | Ki | 12.8333 | 3 | 3 |
| Squalene monooxygenase | Rattus norvegicus (Norway rat) | IC50 | 1.6000 | 1 | 1 |
| steroidogenic factor 1 | Homo sapiens (human) | IC50 | 67.5390 | 1 | 1 |
| Sterol O-acyltransferase 1 | Cricetulus griseus (Chinese hamster) | IC50 | 167.8667 | 2 | 3 |
| Sterol O-acyltransferase 1 | Homo sapiens (human) | IC50 | 91.6000 | 5 | 5 |
| Sterol O-acyltransferase 2 | Homo sapiens (human) | IC50 | 100.0447 | 4 | 4 |
| Sterol O-acyltransferase 2 | Mus musculus (house mouse) | IC50 | 0.0010 | 1 | 1 |
| Sterol regulatory element-binding protein 1 | Homo sapiens (human) | IC50 | 1.1760 | 1 | 1 |
| Stromelysin-1 | Homo sapiens (human) | IC50 | 177.9970 | 3 | 3 |
| Substance-K receptor | Cavia porcellus (domestic guinea pig) | IC50 | 41.9000 | 1 | 2 |
| Substance-K receptor | Homo sapiens (human) | IC50 | 9.2313 | 1 | 3 |
| Substance-K receptor | Homo sapiens (human) | Ki | 3.0773 | 1 | 3 |
| Substance-P receptor | Cavia porcellus (domestic guinea pig) | IC50 | 41.9000 | 1 | 2 |
| Succinate-semialdehyde dehydrogenase, mitochondrial | Homo sapiens (human) | IC50 | 7,200.0000 | 1 | 1 |
| Sucrase-isomaltase, intestinal | Homo sapiens (human) | IC50 | 53.8000 | 1 | 1 |
| Sucrase-isomaltase, intestinal | Rattus norvegicus (Norway rat) | IC50 | 415.0000 | 2 | 2 |
| SUMO-1-specific protease | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| SUMO1/sentrin specific peptidase 7 | Homo sapiens (human) | IC50 | 7.8200 | 1 | 1 |
| Synaptojanin-1 | Homo sapiens (human) | IC50 | 15.9000 | 2 | 4 |
| Synaptojanin-2 | Homo sapiens (human) | IC50 | 3.0250 | 3 | 6 |
| T-cell surface glycoprotein CD4 | Homo sapiens (human) | IC50 | 0.1300 | 1 | 1 |
| Taste receptor type 2 member 31 | Homo sapiens (human) | IC50 | 11.3000 | 1 | 1 |
| Tat | Human immunodeficiency virus 1 | IC50 | 47.9550 | 1 | 1 |
| Telomerase reverse transcriptase | Homo sapiens (human) | IC50 | 18.8900 | 2 | 2 |
| Telomere resolvase ResT | Borreliella burgdorferi B31 | IC50 | 8.6700 | 1 | 1 |
| Testosterone 17-beta-dehydrogenase 3 | Homo sapiens (human) | IC50 | 23.3667 | 1 | 3 |
| TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Homo sapiens (human) | IC50 | 0.0087 | 3 | 3 |
| Thioredoxin | Homo sapiens (human) | Ki | 3.1100 | 1 | 1 |
| Thioredoxin reductase 1, cytoplasmic | Homo sapiens (human) | IC50 | 40.3500 | 4 | 4 |
| Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus (Norway rat) | IC50 | 185.0000 | 1 | 1 |
| Thioredoxin reductase 2, mitochondrial | Homo sapiens (human) | IC50 | 40.3500 | 4 | 4 |
| Thioredoxin reductase 2, mitochondrial | Rattus norvegicus (Norway rat) | IC50 | 132.0000 | 1 | 1 |
| Thioredoxin reductase 3 | Homo sapiens (human) | IC50 | 40.3500 | 4 | 4 |
| Thioredoxin, mitochondrial | Homo sapiens (human) | Ki | 1.3100 | 1 | 1 |
| Thiosulfate sulfurtransferase | Homo sapiens (human) | IC50 | 53.2650 | 1 | 4 |
| Thromboxane-A synthase | Homo sapiens (human) | IC50 | 66.0490 | 1 | 1 |
| Thymidine kinase | Human alphaherpesvirus 1 strain SC16 | IC50 | 1.0000 | 1 | 1 |
| Thymidine kinase | Macacine alphaherpesvirus 1 | IC50 | 4.1000 | 1 | 1 |
| Thymidine kinase | Staphylococcus aureus | Ki | 257.0000 | 1 | 1 |
| Thymidine kinase, cytosolic | Homo sapiens (human) | IC50 | 125.4605 | 4 | 4 |
| Thymidine kinase, cytosolic | Homo sapiens (human) | Ki | 1.1000 | 2 | 2 |
| Thymidylate kinase | Homo sapiens (human) | Ki | 180.0000 | 2 | 2 |
| Thymidylate kinase | Mycobacterium tuberculosis H37Rv | Ki | 125.2857 | 6 | 7 |
| Thymidylate synthase | Homo sapiens (human) | Ki | 3.0000 | 1 | 1 |
| Thymidylate synthase | Lacticaseibacillus casei | Ki | 2.2600 | 1 | 1 |
| Thymidylate synthase | Mus musculus (house mouse) | Ki | 6.5000 | 1 | 1 |
| Thymidylate synthase | Bos taurus (cattle) | Ki | 8.0000 | 1 | 1 |
| Tissue alpha-L-fucosidase | Bos taurus (cattle) | IC50 | 60.5000 | 1 | 2 |
| Tissue factor | Homo sapiens (human) | IC50 | 26.0066 | 2 | 2 |
| Tissue factor | Homo sapiens (human) | Ki | 8,000.0000 | 1 | 1 |
| Toll-like receptor 2 | Mus musculus (house mouse) | IC50 | 117.1100 | 1 | 1 |
| toll-like receptor 9 | Homo sapiens (human) | IC50 | 8.3620 | 1 | 1 |
| TPA: protein transporter TIM10 | Saccharomyces cerevisiae S288C | IC50 | 19.7000 | 1 | 1 |
| transactivating tegument protein VP16 [Human herpesvirus 1] | Human alphaherpesvirus 1 (Herpes simplex virus type 1) | IC50 | 4.3740 | 1 | 1 |
| Transcription factor GATA-4 | Mus musculus (house mouse) | IC50 | 24.0000 | 1 | 1 |
| Transcription factor p65 | Homo sapiens (human) | IC50 | 12.5768 | 12 | 18 |
| Transcriptional activator Myb | Gallus gallus (chicken) | IC50 | 15.0024 | 1 | 8 |
| Transient receptor potential cation channel subfamily A member 1 | Homo sapiens (human) | IC50 | 23.0000 | 1 | 1 |
| Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus (Norway rat) | IC50 | 65.2000 | 2 | 2 |
| Transient receptor potential cation channel subfamily M member 8 | Rattus norvegicus (Norway rat) | IC50 | 147.0000 | 2 | 2 |
| Transient receptor potential cation channel subfamily V member 2 | Rattus norvegicus (Norway rat) | IC50 | 10.0000 | 2 | 2 |
| Transporter | Rattus norvegicus (Norway rat) | Ki | 1.6300 | 2 | 2 |
| Transthyretin | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Transthyretin | Homo sapiens (human) | Ki | 0.0026 | 1 | 1 |
| Triosephosphate isomerase | Homo sapiens (human) | IC50 | 1,000.0000 | 1 | 1 |
| Triosephosphate isomerase, glycosomal | Trypanosoma cruzi | IC50 | 6.5000 | 1 | 1 |
| Tripeptidyl-peptidase 2 | Rattus norvegicus (Norway rat) | Ki | 697.2857 | 2 | 7 |
| Trypanothione reductase | Trypanosoma cruzi | IC50 | 28.0000 | 2 | 2 |
| Trypsin | Sus scrofa (pig) | IC50 | 200.0000 | 1 | 1 |
| Tryptophan 2,3-dioxygenase | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Tryptophanase | Escherichia coli K-12 | Ki | 48,000.0000 | 1 | 1 |
| Tubulin alpha-1A chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin alpha-1A chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin alpha-1A chain | Sus scrofa (pig) | IC50 | 2.2000 | 1 | 1 |
| Tubulin alpha-1B chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin alpha-1B chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin alpha-1C chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin alpha-1C chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin alpha-3C chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin alpha-3C chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin alpha-3E chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin alpha-3E chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin alpha-4A chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin alpha-4A chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta chain | Sus scrofa (pig) | IC50 | 2.2000 | 1 | 1 |
| Tubulin beta-1 chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-1 chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta-2A chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-2A chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta-2B chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-2B chain | Bos taurus (cattle) | IC50 | 1,786.1750 | 8 | 8 |
| Tubulin beta-2B chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta-3 chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-3 chain | Homo sapiens (human) | IC50 | 8.6049 | 4 | 5 |
| Tubulin beta-4A chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-4A chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta-4B chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-4B chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta-6 chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-6 chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| Tubulin beta-8 chain | Homo sapiens (human) | GI50 | 0.0053 | 3 | 3 |
| Tubulin beta-8 chain | Homo sapiens (human) | IC50 | 21.5000 | 1 | 2 |
| tumor necrosis factor | Homo sapiens (human) | IC50 | 11.6900 | 2 | 2 |
| Type-1 angiotensin II receptor | Homo sapiens (human) | IC50 | 9.3205 | 2 | 2 |
| Type-1 angiotensin II receptor | Oryctolagus cuniculus (rabbit) | IC50 | 0.2000 | 1 | 1 |
| Type-1A angiotensin II receptor | Rattus norvegicus (Norway rat) | IC50 | 0.0027 | 6 | 6 |
| Type-1A angiotensin II receptor | Rattus norvegicus (Norway rat) | Ki | 0.0068 | 1 | 4 |
| Type-1B angiotensin II receptor | Rattus norvegicus (Norway rat) | IC50 | 0.0036 | 8 | 8 |
| Type-1B angiotensin II receptor | Rattus norvegicus (Norway rat) | Ki | 0.0068 | 1 | 4 |
| Type-2 angiotensin II receptor | Rattus norvegicus (Norway rat) | IC50 | 33.3358 | 3 | 3 |
| Tyrosinase | Homo sapiens (human) | IC50 | 27.3800 | 4 | 4 |
| Tyrosinase | Mus musculus (house mouse) | IC50 | 252.6150 | 1 | 2 |
| Tyrosine-protein kinase ABL1 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Tyrosine-protein kinase Fyn | Homo sapiens (human) | IC50 | 92.7067 | 2 | 3 |
| Tyrosine-protein kinase JAK3 | Homo sapiens (human) | IC50 | 10.0500 | 2 | 2 |
| Tyrosine-protein kinase Lck | Homo sapiens (human) | IC50 | 91.6470 | 2 | 3 |
| Tyrosine-protein kinase Lyn | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Tyrosine-protein kinase Mer | Homo sapiens (human) | IC50 | 4.9000 | 1 | 1 |
| Tyrosine-protein kinase SYK | Homo sapiens (human) | IC50 | 15.7333 | 1 | 3 |
| Tyrosine-protein kinase Yes | Homo sapiens (human) | Ki | 7.9000 | 1 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 | Homo sapiens (human) | IC50 | 67.4876 | 24 | 34 |
| Tyrosine-protein phosphatase non-receptor type 1 | Homo sapiens (human) | Ki | 17.8648 | 6 | 6 |
| Tyrosine-protein phosphatase non-receptor type 11 | Homo sapiens (human) | IC50 | 3.5667 | 3 | 3 |
| tyrosine-protein phosphatase non-receptor type 11 isoform 1 | Homo sapiens (human) | IC50 | 1.0400 | 1 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 | Homo sapiens (human) | IC50 | 15.6420 | 3 | 5 |
| tyrosine-protein phosphatase non-receptor type 5 isoform a | Homo sapiens (human) | IC50 | 56.7000 | 2 | 2 |
| Tyrosine-protein phosphatase non-receptor type 6 | Homo sapiens (human) | IC50 | 18.4867 | 3 | 3 |
| Tyrosine-protein phosphatase non-receptor type 7 | Homo sapiens (human) | IC50 | 86.0667 | 2 | 3 |
| Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens (human) | IC50 | 6,071.0000 | 2 | 5 |
| Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens (human) | IC50 | 8.0000 | 1 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 15 | Homo sapiens (human) | IC50 | 31.4000 | 1 | 5 |
| Ubiquitin carboxyl-terminal hydrolase 2 | Homo sapiens (human) | IC50 | 31.4000 | 1 | 5 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | Homo sapiens (human) | IC50 | 31.4000 | 1 | 5 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 | Homo sapiens (human) | IC50 | 31.4000 | 1 | 5 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L5 | Homo sapiens (human) | IC50 | 31.4000 | 1 | 5 |
| ubiquitin-conjugating enzyme E2 N | Homo sapiens (human) | IC50 | 11.7857 | 2 | 3 |
| UDP-glucuronosyltransferase 1-6 | Homo sapiens (human) | IC50 | 179.0818 | 1 | 11 |
| UDP-glucuronosyltransferase 1A1 | Homo sapiens (human) | IC50 | 169.2231 | 3 | 13 |
| UDP-glucuronosyltransferase 1A1 | Homo sapiens (human) | Ki | 21.3000 | 3 | 3 |
| UDP-glucuronosyltransferase 1A10 | Homo sapiens (human) | Ki | 121.3000 | 1 | 1 |
| UDP-glucuronosyltransferase 1A4 | Homo sapiens (human) | IC50 | 179.0818 | 1 | 11 |
| UDP-glucuronosyltransferase 1A7 | Homo sapiens (human) | Ki | 101.0000 | 1 | 1 |
| UDP-glucuronosyltransferase 1A8 | Homo sapiens (human) | Ki | 23.0000 | 2 | 2 |
| UDP-glucuronosyltransferase 1A9 | Homo sapiens (human) | Ki | 534.0000 | 1 | 1 |
| UDP-glucuronosyltransferase 2B10 | Homo sapiens (human) | IC50 | 179.0818 | 1 | 11 |
| UDP-glucuronosyltransferase 2B7 | Homo sapiens (human) | IC50 | 179.0818 | 1 | 11 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Escherichia coli K-12 | IC50 | 50.0000 | 1 | 3 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Pseudomonas aeruginosa PAO1 | IC50 | 50.0000 | 1 | 3 |
| UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Staphylococcus epidermidis RP62A | IC50 | 300.0000 | 1 | 1 |
| Unconventional myosin-Va | Gallus gallus (chicken) | IC50 | 1.2000 | 1 | 1 |
| Urease subunit alpha | Helicobacter pylori 26695 | IC50 | 679.0000 | 1 | 2 |
| Urease subunit beta | Helicobacter pylori 26695 | IC50 | 679.0000 | 1 | 2 |
| Vif | Human immunodeficiency virus 1 | IC50 | 9.4400 | 1 | 1 |
| Vitamin D3 receptor | Bos taurus (cattle) | IC50 | 0.0000 | 1 | 1 |
| Vitamin D3 receptor | Homo sapiens (human) | IC50 | 0.3401 | 19 | 19 |
| Vitamin D3 receptor | Rattus norvegicus (Norway rat) | Ki | 0.0001 | 11 | 11 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | Rattus norvegicus (Norway rat) | IC50 | 100.0000 | 1 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | Rattus norvegicus (Norway rat) | IC50 | 100.0000 | 1 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1S | Rattus norvegicus (Norway rat) | IC50 | 100.0000 | 1 | 1 |
| WD repeat-containing protein 48 | Homo sapiens (human) | IC50 | 8.0000 | 1 | 1 |
| Xanthine dehydrogenase/oxidase | Bos taurus (cattle) | IC50 | 30.4400 | 4 | 7 |
| Xanthine dehydrogenase/oxidase | Homo sapiens (human) | IC50 | 305.9121 | 6 | 14 |
| Xanthine dehydrogenase/oxidase | Homo sapiens (human) | Ki | 0.5200 | 1 | 1 |
| XBP1 | Homo sapiens (human) | IC50 | 6.0467 | 1 | 3 |