Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM501
Substrate
HIV-1 proteinase peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
27000±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:
BDBM501
Synonyms:
4-{2-[(1R,2R,10S,11R,14S,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-2-oxoethoxy}-4-oxobutanoic acid | Cancer Chemotherapy National Service Center (CCNSC) compound 7576 | NSC 7576
Type:
Small organic molecule
Emp. Form.:
C25H34O8
Mol. Mass.:
462.5327
SMILES:
[H][C@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:30|
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