Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM756
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
12.0±n/a nM
Citation
 Vacca, JP; Guare, JP; deSolms, SJ; Sanders, WM; Giuliani, EA; Young, SD; Darke, PL; Zugay, J; Sigal, IS; Schleif, WA L-687,908, a potent hydroxyethylene-containing HIV protease inhibitor. J Med Chem 34:1225-8 (1991) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM756
Synonyms:
Hydroxyethylene deriv. 7 | tert-butyl N-[(2S,3S,5R)-5-benzyl-5-[(1-carbamoyl-3-methylbutyl)carbamoyl]-3-hydroxy-1-phenylpentan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C30H43N3O5
Mol. Mass.:
525.6795
SMILES:
CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
755.86
Organism:
n/a
Description:
n/a
Residue:
7
Sequence:
VSQNPIV