Compounds > skf 107457
Page last updated: 2024-12-08

skf 107457

Description

SKF 107457: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID444196
CHEMBL ID49004
SCHEMBL ID7321482
MeSH IDM0209084

Synonyms (22)

Synonym
bdbm903
methyl (2s)-2-[(2s)-2-[(4s,5s)-5-[(2s)-2-[(2s)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
methyl (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
skf 107457
126333-28-6
5-(l-alanyl-l-alanylamino)-4-hydroxy-6-phenylhexanoic acid, methyl valyl-valyl amide
l-valine, l-alanyl-l-alanyl-(.gamma.s, .delta.s)-.delta.-amino-.gamma.-hydroxybenzenehexanoyl-l-valyl-, methyl ester
methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate
DB04191
CHEMBL49004
methyl (2s)-2-[[(2s)-2-[[(4s,5s)-5-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
ala-ala-phepsi(ch(oh)ch2)gly-val-val-och3
l-valine, l-alanyl-l-alanyl-(gammas, deltas)-delta-amino-gamma-hydroxybenzenehexanoyl-l-valyl-, methyl ester
5-(l-alanyl-l-alanylamino)-4-hydroxy-6-phenylhexanoic acid, methyl valyl-valyl amide
skf-107457
SCHEMBL7321482
DTXSID80155143
Q27464562
CS-0079462
skf107457
HY-120880
AKOS040747481
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (8)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HIV-1 PROTEASEHuman immunodeficiency virus 1Ki0.00400.00400.00400.0040AID977610
Chain B, HIV-1 PROTEASEHuman immunodeficiency virus 1Ki0.00400.00400.00400.0040AID977610
Chain E, HIV-1 PROTEASEHuman immunodeficiency virus 1Ki0.01800.01800.01800.0180AID977610
Chain E, HIV-1 PROTEASEHuman immunodeficiency virus 1Ki0.01800.01800.01800.0180AID977610
Chain A, SIV PROTEASESimian immunodeficiency virusKi0.00840.00840.00840.0084AID977610
Chain B, SIV PROTEASESimian immunodeficiency virusKi0.00840.00840.00840.0084AID977610
Gag-Pol polyproteinHuman immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)Ki0.01800.00000.12203.1000AID1795283
Protease Human immunodeficiency virus 1Ki0.01110.00000.04433.1000AID160777; AID239453
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (9)

Assay IDTitleYearJournalArticle
AID1795283Protease Inhibition Assay from Article 10.1021/jm00041a005: \\Crystal-structure-based design and synthesis of novel C-terminal inhibitors of HIV protease.\\1994Journal of medicinal chemistry, Jul-22, Volume: 37, Issue:15
Crystal-structure-based design and synthesis of novel C-terminal inhibitors of HIV protease.
AID160777Binding affinity to HIV-1 protease1994Journal of medicinal chemistry, Jun-10, Volume: 37, Issue:12
Three-dimensional pharmacophores from binding data.
AID239453Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation2004Journal of medicinal chemistry, Nov-04, Volume: 47, Issue:23
Efficient evaluation of binding free energy using continuum electrostatics solvation.
AID1811Experimentally measured binding affinity data derived from PDB1993Biochemistry, Dec-07, Volume: 32, Issue:48
Three-dimensional structure of a simian immunodeficiency virus protease/inhibitor complex. Implications for the design of human immunodeficiency virus type 1 and 2 protease inhibitors.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB1993Biochemistry, Dec-07, Volume: 32, Issue:48
Three-dimensional structure of a simian immunodeficiency virus protease/inhibitor complex. Implications for the design of human immunodeficiency virus type 1 and 2 protease inhibitors.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB1992The Journal of biological chemistry, Nov-15, Volume: 267, Issue:32
The crystal structures at 2.2-A resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations.
AID1811Experimentally measured binding affinity data derived from PDB1992The Journal of biological chemistry, Nov-15, Volume: 267, Issue:32
The crystal structures at 2.2-A resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations.
AID1811Experimentally measured binding affinity data derived from PDB1992Biochemistry, Jul-28, Volume: 31, Issue:29
Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB1992Biochemistry, Jul-28, Volume: 31, Issue:29
Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's6 (85.71)18.2507
2000's1 (14.29)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: 11.98

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 Index11.98 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.18 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.98)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other8 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.		1.9810aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
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.		1.9910L-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.		1.9910aspartate 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
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.		1.9810L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
mvt 101
[no description available]		1.9810
pepstatin
pepstatin: inhibits the aspartic protease endothiapepsin		2.3920pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
u 75875
U 75875: structure given in first source		1.9910
streptomyces pepsin inhibitor
[no description available]		1.9810
ConditionIndicatedRelationship StrengthStudiesTrials
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