Page last updated: 2024-12-08

skf 107457

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

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]