Compounds > kni 102
Page last updated: 2024-11-06

kni 102

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

KNI 102: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID65004
CHEMBL ID3349847
CHEBI ID80005
SCHEMBL ID2771668
MeSH IDM0198752

Synonyms (28)

Synonym
bdbm4215
ahpba 1a
benzyl n-[(1s)-1-{[(2s,3s)-4-[(2s)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
kni 102
kni-102
(2s)-n-(3-{(2s)-2-[n-(tert-butyl)carbamoyl]pyrrolidinyl}(1s,2s)-2-hydroxy-3-oxo-1-benzylpropyl)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanamide
rpi 312
139694-65-8
benzyl n-[(1s)-3-amino-1-[[(1s,2s)-1-benzyl-3-[(2s)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamate
cbz-asn-apns-pro-nh-tbu
n^2-[(phenylmethoxy)carbonyl]-l-asparaginyl-(2s,3s)-2-hydroxy-4-phenyl-3-aminobutanoyl-n-(1,1-dimethylethyl)-l-prolinamide
rpi-312
benzyl n-[(2s)-4-amino-1-[[(2s,3s)-4-[(2s)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
1-(3-(n-alpha-benzyloxycarbonyl-l-asparaginyl)amino-2-hydroxy-4-phenylbutyryl)-n-tert-butyl-l-prolinamide
z-asn-apns-pro-nh-t-but
l-prolinamide, n2-((phenylmethoxy)carbonyl)-l-asparaginyl-(2s,3s)-2-hydroxy-4-phenyl-3-aminobutanoyl-n-(1,1-dimethylethyl)-
l-prolinamide, n2-((phenylmethoxy)carbonyl)-l-asparaginyl-(alphas,betas)-beta-amino-alpha-hydroxybenzenebutanoyl-n-(1,1-dimethylethyl)-
z-asparaginyl-allophenylnorstatinyl-t-butylproline amide
CHEBI:80005 ,
SCHEMBL2771668
DTXSID70161152
CHEMBL3349847
phenylmethyln-[(2s)-4-amino-1-[[(2s,3s)-4-[(2s)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Q27149152
benzyl ((s)-4-amino-1-(((2s,3s)-4-((s)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)amino)-1,4-dioxobutan-2-yl)carbamate
HY-120132
CS-0076976
AKOS040752269
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
peptideAmide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Gag-Pol polyproteinHuman immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)Ki0.05750.00000.12203.1000AID1795625
Protease Human immunodeficiency virus 1IC50 (µMol)0.00740.00010.22487.3200AID160774; AID162220
Protease Human immunodeficiency virus 1Ki0.00400.00000.04433.1000AID160289
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (4)

Assay IDTitleYearJournalArticle
AID160289Binding affinity against HIV Protease enzyme.(by Dixon analysis)1992Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7
Intriguing structure-activity relations underlie the potent inhibition of HIV protease by norstatine-based peptides.
AID162220Inhibitory activity of the Compound was tested against HIV protease enzyme.1992Journal of medicinal chemistry, Apr-03, Volume: 35, Issue:7
Intriguing structure-activity relations underlie the potent inhibition of HIV protease by norstatine-based peptides.
AID160774Inhibitory potency against HIV-1 protease1993Journal of medicinal chemistry, Dec-24, Volume: 36, Issue:26
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules.
AID1795625Protease Inhibition Assay from Article 10.1016/0968-0896(96)00130-7: \\Structure-activity relationships of HIV-1 PR inhibitors containing AHPBA--II. Modification of pyrrolidine ring at P1' proline.\\1996Bioorganic & medicinal chemistry, Aug, Volume: 4, Issue:8
Structure-activity relationships of HIV-1 PR inhibitors containing AHPBA--II. Modification of pyrrolidine ring at P1' proline.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's10 (100.00)18.2507
2000's0 (0.00)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.05

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.05 (24.57)
Research Supply Index2.40 (2.92)
Research Growth Index4.45 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.05)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (10.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other9 (90.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.		1.9910amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.		3.4820L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
isoleucine
Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.		1.9810aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
kynostatin 272
kynostatin 272: structure given in first source; contains allophenylnorstatine as a transition-state mimic		1.9810peptide
a 74704
A 74704: structure given in first source		3.0810
3-amino-2-hydroxy-4-phenylbutanoic acid
[no description available]		1.9710
jg 365
[no description available]		3.0810
saquinavir
Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.		2.3920L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
cerulenin
Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.		3.0810epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
pepstatin
pepstatin: inhibits the aspartic protease endothiapepsin		3.0810pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials