Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM503
Substrate
HIV-1 proteinase peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
6000±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:
BDBM503
Synonyms:
3-benzyl-4,5-dihydroxy-2H-chromen-2-one | CHEMBL64588 | Cancer Chemotherapy National Service Center (CCNSC) compound 251156 | NSC 251156
Type:
Small organic molecule
Emp. Form.:
C16H12O4
Mol. Mass.:
268.2641
SMILES:
Oc1cccc2oc(=O)c(Cc3ccccc3)c(O)c12
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