Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM979
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
310.15±n/a K
IC50
>100000±n/a nM
Citation
 Lunney, EA; Hagen, SE; Domagala, JM; Humblet, C; Kosinski, J; Tait, BD; Warmus, JS; Wilson, M; Ferguson, D; Hupe, D A novel nonpeptide HIV-1 protease inhibitor: elucidation of the binding mode and its application in the design of related analogs. J Med Chem 37:2664-77 (1994) [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:
BDBM979
Synonyms:
4-hydroxy-3-[4-(4-methoxyphenyl)butyl]-2H-chromen-2-one | Hydroxycoumarin deriv. 17
Type:
Small organic molecule
Emp. Form.:
C20H20O4
Mol. Mass.:
324.3704
SMILES:
COc1ccc(CCCCc2c(O)c3ccccc3oc2=O)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4517.01
Organism:
n/a
Description:
n/a
Residue:
41
Sequence:
HHISLYSALAARGVALLEPNPHEGLALANRLECINESERNH