NAD+-protein ADP-ribosyltransferase activity

Definition

Target type: molecularfunction

Catalysis of the reaction: amino acyl-[protein] + NAD+ = H+ + (ADP-D-ribosyl)-amino acyl-[protein] + nicotinamide. [PMID:1899243]

NAD+-protein ADP-ribosyltransferase activity is a molecular function that involves the transfer of an ADP-ribose moiety from NAD+ to a target protein. This process, known as ADP-ribosylation, is a reversible post-translational modification that can significantly alter the activity and function of target proteins. The enzyme responsible for this activity is called an ADP-ribosyltransferase.

This enzymatic activity plays a crucial role in various cellular processes, including:

- **Signal transduction**: ADP-ribosylation can modulate the activity of signaling proteins, such as G proteins, by altering their interaction with downstream effectors.
- **DNA repair**: ADP-ribosyltransferases are involved in the repair of damaged DNA by modifying DNA ligases and other repair proteins.
- **Transcriptional regulation**: ADP-ribosylation can influence the activity of transcription factors and other proteins involved in gene expression.
- **Cell cycle control**: ADP-ribosyltransferases regulate the progression of the cell cycle by modifying proteins involved in DNA replication and cell division.
- **Immune response**: ADP-ribosylation plays a role in the immune response by regulating the activity of immune cells and their signaling pathways.

The specificity of ADP-ribosyltransferases for their target proteins is determined by the structure of the active site of the enzyme and the recognition of specific amino acid sequences on the target protein. The addition of an ADP-ribose moiety can alter the conformation of the target protein, thereby affecting its ability to bind to other molecules or to function properly.

In addition to its physiological roles, ADP-ribosyltransferase activity is also implicated in various pathological conditions, including cancer, infectious diseases, and neurodegenerative disorders. Understanding the intricate mechanisms of ADP-ribosylation and the diverse roles of ADP-ribosyltransferases is essential for developing new therapeutic strategies for treating these diseases.'
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Proteins (20)

Compounds (150)

Compound	Definition	Classes	Roles
adenine		6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
niacinamide	nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
pyrazinamide	pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyrazinoic acid	pyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. pyrazinoic acid: active metabolite of pyrazinamide; structure	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
1,5-dihydroxyisoquinoline	1,5-dihydroxyisoquinoline: structure in first source isoquinoline-1,5-diol : An isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups.	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-aminobenzamide		benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
4'-bromoflavone	4'-bromoflavone: structure in first source
4-amino-1,8-naphthalimide	4-amino-1,8-naphthalimide: inhibits ADP-ribosylation; sometimes abreviated as 4-AN;	benzoisoquinoline; dicarboximide
phenanthridone	phenanthridone : A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. phenanthridone: coal tar derivative; structure given in first source	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
5-aminoisoquinolinone	5-aminoisoquinolinone: structure in first source	isoquinolines
amiodarone	amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
anthralin	anthralin : An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9. Anthralin: An anthracene derivative that disrupts MITOCHONDRIA function and structure and is used for the treatment of DERMATOSES, especially PSORIASIS. It may cause FOLLICULITIS.	anthracenes	antipsoriatic
benzamide	benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.	benzamides
bisindolylmaleimide i	bisindolylmaleimide I: a bis(indolyl)maleimide
2-(1-(2-(1-methylpyrrolidino)ethyl)-1h-indol-3-yl)maleimide	bisindolylmaleimide II: protein kinase C inhibitor; see also bisindolylmaleimide I
bisindolylmaleimide iv		indoles; maleimides
bisindolylmaleimide v	bisindolylmaleimide V: used as a negative control compound for protein kinase C inhibition; structure in first source;	indoles
valproic acid	valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
go 6976		indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
idebenone		1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
nsc 664704	kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta). kenpaullone: inhibits CDK1/cyclin B; structure in first source	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
entinostat		benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
fenamic acid	fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd	aminobenzoic acid; secondary amino compound	membrane transport modulator
4-phenylbutyric acid	4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. 4-phenylbutyric acid: RN refers to the parent cpd	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
pj-34	PJ34 : A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent
probucol	probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
ro 31-8220	Ro 31-8220: a protein kinase C inhibitor	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
fenofibrate		benzochromenone; delta-lactone; naphtho-alpha-pyrone	platelet aggregation inhibitor; Sir2 inhibitor
vorinostat	vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
suramin	suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
nad		NAD	geroprotector
carbostyril	quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
4-tert-butylbenzoic acid	4-tert-butylbenzoic acid: RN given refers to parent cpd	alkylbenzene
3-aminobenzoic acid	3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3. 3-aminobenzoic acid: RN given refers to parent cpd	aminobenzoic acid
1-hydroxyphthalazine	1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5	phthalazines
suramin sodium	suramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness.	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
chlorthenoxazin	chlorthenoxazin: RN given refers to parent cpd; structure	benzoxazine
rhein		dihydroxyanthraquinone
isocarbostyril	isoquinolinone : An isoquinoline containing one or more oxo groups.	isoquinolines
oleanolic acid		hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
flavone	flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. flavone: RN given refers to unlabeled cpd; structure given in first source	flavones	metabolite; nematicide
closantel	closantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections. closantel: structure N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
balsalazide	balsalazide : A monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond. balsalazide: a mesalamine 5-aminosalicylate prodrug; 99% of ingested drug remains intact through the stomach and is delivered to and activated in the colon; used for inflammatory bowel disease, ulcerative colitis and radiation-induced proctosigmoiditis but avoided in patients with known hypersensitivity reaction to salicylates or mesalamine; structure in first source
2,4(1h,3h)-quinazolinedione	2,4(1H,3H)-quinazolinedione: structure given in first source
4-hydroxybenzamide
naphthalimides	Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.
toxoflavin	toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. toxoflavin: azapteridine antibiotic; structure	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
4-methylquinolin-2(1H)-one	4-methylquinolin-2(1H)-one : A quinolone that is quinolin-2(1H)-one substituted by a methyl group at position 4.	quinolone
4-fluorobenzamide	4-fluorobenzamide: structure in first source
honokiol		biphenyls
5-iodo-6-amino-1,2-benzopyrone
alantolactone	alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
echinocystic acid		triterpenoid
4-aminobenzamide		benzamides
4-Methoxybenzamide		benzamides
4'-methoxyflavone	4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source	ether; flavonoids
1-(4-nitrophenyl)piperazine	1-(4-nitrophenyl)piperazine: structure in first source
4-methylnicotinamide	4-methylnicotinamide: structure given in first source
3-methoxybenzamide
fulvestrant	fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
rubimaillin	rubimaillin : A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. rubimaillin: structure given in first source	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite
lestaurtinib		indolocarbazole
nisoxetine hydrochloride
3',4'-dihydroxyflavone	3',4'-dihydroxyflavone: inhibitors of arachidonic acid peroxidation
3-methoxyflavone	3-methoxyflavone: from Aspergillus niger; structure in first source
2'-methoxyflavone		ether; flavonoids
6-methoxyflavone	6-methoxyflavone: suppresses NFAT-mediated T cell activation; structure in first source	ether; flavonoids
3,4-dihydro-5-methyl-1(2h)-isoquinolinone	3,4-dihydro-5-methyl-1(2H)-isoquinolinone: structure given in first source	isoquinolines
1-oxo-1,2,3,4-tetrahydroisoquinoline	1-oxo-1,2,3,4-tetrahydroisoquinoline: structure given in first source
4'-chloroflavone	4'-chloroflavone: structure given in first source
cyclo(alanylalanyl)
5-chloropyrazinamide
sorafenib		(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
4'-hydroxyflavone	4'-hydroxyflavone: structure in first source
6-chloroflavone	6-chloroflavone: structure in first source
nsc 74859	NSC 74859: inhibits Stat3 binding activity; structure in first source S3I-201 : An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.	amidobenzoic acid; monohydroxybenzoic acid; tosylate ester	STAT3 inhibitor
paullone	paullone : An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. paullone: structure in first source	indolobenzazepine; lactam	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
hyperforin	hyperforin : A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum. hyperforin: a prenylated acylphloroglucinol derivative; antibiotic component of novoimanine; psychoactive agent in St. John's wort; Russian; structure;
surfactin c	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.	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant
e-z cinnamic acid	cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. trans-cinnamic acid : The E (trans) isomer of cinnamic acid	cinnamic acid	plant metabolite
trichostatin a	trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
resveratrol	trans-resveratrol : A resveratrol in which the double bond has E configuration.	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
(3R,5S)-fluvastatin	(3R,5S)-fluvastatin : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which the stereocentres beta- and delta- to the carboxy group have R and S configuration, respectively. The drug fluvastatin is an equimolar mixture of this compound and its enantiomer.	(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid; statin (synthetic)
7-methoxyflavone	7-methoxyflavone: an aromatase inhibitor	ether; flavonoids
6-methylflavone	6-methylflavone: structure in first source
4-(4-chloroanilino)-3-pyridinesulfonamide		pyridines; sulfonamide
CHIC-35	CHIC-35 : An organic heterotricyclic compound resulting from the formal fusion of the 2-3 bond of 5-chloroindole with the 2-3 bond of cycloheptanecarboxamide (the S enantiomer). It is a potent, cell-permeable, metabolically stable and selective inhibitor of the deacetylase SIRT1.	aromatic compound; organic heterotricyclic compound; organochlorine compound; primary carboxamide	EC 3.5.1.98 (histone deacetylase) inhibitor
N-(3-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine		quinoxaline derivative
iwr-1 exo	IWR-1-exo : A dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo.	bridged compound; dicarboximide	axin stabilizer
3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide	3-(1-azepanylsulfonyl)-N-(3-bromphenyl)benzamide: a sirtuin 2 inhibitor; structure in first source
CAY10591	CAY10591: a SIRT1 NAD-dependent histone deacetylase activator	quinoxaline derivative
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate		aromatic ether
1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione		anthraquinone
sirtinol		aldimine; benzamides; naphthols	anti-inflammatory agent; EC 3.5.1.98 (histone deacetylase) inhibitor; Sir2 inhibitor
N-[4-[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamide		aromatic amide; furans
tandutinib		aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ha 1100	HA 1100: intracellular calcium antagonist
cambinol	cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source
gw 7647	GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. GW 7647: a PPAR-alpha agonist; structure in first source	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
(4-chlorophenyl)-[4-(8-nitro-5-quinolinyl)-1-piperazinyl]methanone		N-arylpiperazine
ex 527	6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source	carbazoles; monocarboxylic acid amide; organochlorine compound
apigenin	Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	trihydroxyflavone	antineoplastic agent; metabolite
luteolin		3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
amentoflavone		biflavonoid; hydroxyflavone; ring assembly	angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite
n-oleoyldopamine	N-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist. N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
3',4',7-trihydroxyflavone	3',4',7-trihydroxyflavone: from the Sudanese medicinal plant Albizia zygia; structure in first source	flavones
su 11248		monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
cefixime		cephalosporin	antibacterial drug; drug allergen
adenosine diphosphate (hydroxymethyl)pyrrolidinediol		dihydroxypyrrolidine; purine ribonucleoside 5'-diphosphate
panobinostat	panobinostat : A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. Panobinostat: An indole and hydroxamic acid derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used as an antineoplastic agent in combination with BORTEZOMIB and DEXAMETHASONE for the treatment of MULTIPLE MYELOMA.	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
midostaurin	midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
ag 14361		benzimidazoles
gpi 6150
rucaparib	AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2h)-isoquinolinone
oblongifolin c	oblongifolin C: has antineoplastic activity; isolated from Garcinia yunnanensis; structure in first source
latonduine a	latonduine A: structure in first source
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide		benzamides
quisinostat		indoles
veliparib		benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine		quinoxaline derivative
olaparib		cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
srt1460	SRT1460: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
srt1720
srt2183	SRT2183: small molecule activator of SIRT1 as therapeutics for the treatment of type 2 diabetes; structure in first source
tenovin-6	tenovin-6 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide.	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor
quizartinib		benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
niraparib	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide : A member of the class of indazoles that is 2H-indazole substituted by 4-(piperidin-3-yl)phenyl and aminocarbonyl groups at positions 2 and 7, respectively. It is a potent PARP1 inhibitor with IC50 of 3.2 nM.	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
niraparib	niraparib : A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy. niraparib: structure in first source	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent
cep 26401		pyridazines; ring assembly
iwr-1 endo	IWR-1-endo : A dicarboximide having an endo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group.	benzamides; bridged compound; dicarboximide; quinolines	axin stabilizer; Wnt signalling inhibitor
ly2784544		pyridazines
nms-p118	NMS-P118: a PARP-1 inhibitor; structure in first source
acy-1215	ricolinostat: an HDAC6 inhibitor; structure in first source	pyrimidinecarboxylic acid
minocycline	minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.
methacycline	methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6. Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.
antimycin
g007-lk	G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source
CCT251545	CCT251545 : A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. CCT251545: a Wnt signaling inhibitor; structure in first source	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor
aristoforin	Aristoforin: derivative of hyperforin, is a potent anticancer agent; structure in first source
nu 1025	NU 1064: structure in first source	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
2-methyl-4(3h)-quinazolinone	2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source
4-hydroxyquinazoline	4-oxo-3,4-dihydroquinazoline: structure in first source	quinazolines
1,4-Dihydrothieno[3,2-d]pyrimidin-4-one		organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
xav939	XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group. XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source	(trifluoromethyl)benzenes; thiopyranopyrimidine	tankyrase inhibitor
2-(4-methoxyphenyl)-1H-quinazolin-4-one		quinazolines
bmn 673	talazoparib: inhibits both PARP1 and PARP2; structure in first source
me0328	ME0328: inhibits ARTD3; structure in first source
n-(3-((2-hydroxynaphthalen-1-ylmethylene)amino)phenyl)-2-phenylpropionamide
nvp-tnks656

Protein	Definition	Taxonomy
Poly [ADP-ribose] polymerase 1	A poly [ADP-ribose] polymerase 1 that is encoded in the genome of cow. [OMA:P18493, PRO:DNx]	Bos taurus (cattle)
Protein mono-ADP-ribosyltransferase PARP9	A protein mono-ADP-ribosyltransferase PARP9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IXQ6]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP3	A protein mono-ADP-ribosyltransferase PARP3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y6F1]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP4	A protein mono-ADP-ribosyltransferase PARP4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UKK3]	Homo sapiens (human)
Poly [ADP-ribose] polymerase 2	A poly [ADP-ribose] polymerase 2 that is encoded in the genome of human. [PRO:DNx]	Homo sapiens (human)
NAD-dependent protein deacylase sirtuin-5, mitochondrial	An NAD-dependent deacetylase sirtuin-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NXA8]	Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-3, mitochondrial	An NAD-dependent protein deacetylase sirtuin-3, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NTG7]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP11	A protein mono-ADP-ribosyltransferase PARP11 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NR21]	Homo sapiens (human)
Poly [ADP-ribose] polymerase tankyrase-2	A poly [ADP-ribose] polymerase tankyrase-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H2K2]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP12	A protein mono-ADP-ribosyltransferase PARP12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9H0J9]	Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-1	An NAD-dependent protein deacetylase sirtuin-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96EB6]	Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-6	An NAD-dependent protein deacylase sirtuin-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N6T7]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP16	A protein mono-ADP-ribosyltransferase PARP16 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N5Y8]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP8	A protein mono-ADP-ribosyltransferase PARP8 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N3A8]	Homo sapiens (human)
NAD-dependent protein deacetylase sirtuin-2	An NAD-dependent protein deacetylase sirtuin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8IXJ6]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP10	A protein mono-ADP-ribosyltransferase PARP10 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q53GL7]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP14	A protein mono-ADP-ribosyltransferase PARP14 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q460N5]	Homo sapiens (human)
Protein mono-ADP-ribosyltransferase PARP15	A protein mono-ADP-ribosyltransferase PARP15 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q460N3]	Homo sapiens (human)
Poly [ADP-ribose] polymerase 1	A poly [ADP-ribose] polymerase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09874]	Homo sapiens (human)
Poly [ADP-ribose] polymerase tankyrase-1	A poly [ADP-ribose] polymerase tankyrase-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95271]	Homo sapiens (human)