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Reaction Details
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TargetHIV-1 Protease
LigandBDBM1234
Substrate/Competitordecapeptide substrate
Meas. Tech.Protease Inhibition Assay
pH5.5±n/a
Temperature310.15±n/a K
IC50 125±n/a nM
Citation Beaulieu, PLWernic, DAbraham, AAnderson, PCBogri, TBousquet, YCroteau, GGuse, ILamarre, DLiard, FParis, WThibeault, DPav, STong, L Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere. J Med Chem40:2164-76 (1997) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
HIV-1 Protease
Name:HIV-1 Protease
Synonyms:n/a
Type:Protein Complex
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2
Name:HIV-1 Protease chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM1234
NameBDBM1234
Synonyms:(Hydroxyethyl)amidosuccinoyl deriv. 6 | benzyl N-[(1S)-1-{[(2S,3R)-4-[(2R)-N,2-di-tert-butylbutanediamido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
TypeSmall organic molecule
Emp. Form.C35H52N4O6
Mol. Mass.624.8106
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@@H](C(=O)NC(C)(C)C)C(C)(C)C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
decapeptide substrate
Name:decapeptide substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:1417.08
Organism:n/a
Description:n/a
Residue:12
Sequence:
VSFNFPQITL-NH2