Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM516
Substrate
HIV-1 proteinase peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
31000±n/a nM
Comments
ID50
Citation
 Wang, S; Milne, GW; Yan, X; Posey, IJ; Nicklaus, MC; Graham, L; Rice, WG Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching. J Med Chem 39:2047-54 (1996) [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:
BDBM516
Synonyms:
CHEMBL62658 | N-[2,6-bis(propan-2-yl)phenyl]-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-6-phenylhexanamide | NSC 647086
Type:
Small organic molecule
Emp. Form.:
C33H33NO6
Mol. Mass.:
539.6182
SMILES:
CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 proteinase peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3079.95
Organism:
n/a
Description:
n/a
Residue:
28
Sequence:
VALSERGLNASNTYRPRILEVALGLNNH