Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM510
Substrate
HIV-1 proteinase peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
2000±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:
BDBM510
Synonyms:
11,12-dihydroxy-5,10-dioxo-4a,5,10,11,12,12a-hexahydro-1-azatetraphene-11,12-disulfonic acid | Cancer Chemotherapy National Service Center (CCNSC) compound 9152 | NSC 9152
Type:
Small organic molecule
Emp. Form.:
C17H13NO10S2
Mol. Mass.:
455.416
SMILES:
OC1(C2N=CC=CC2C2=C(C(=O)c3ccccc3C2=O)C1(O)S(O)(=O)=O)S(O)(=O)=O |c:3,5,t:9|
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