Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM32391
Substrate
HIV-1 PR Substrate Peptide
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
296.15±n/a K
Ki
900±n/a nM
Km
14600±n/a nM
Citation
 Blum, A; Böttcher, J; Sammet, B; Luksch, T; Heine, A; Klebe, G; Diederich, WE Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors. Bioorg Med Chem 16:8574-86 (2008) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599]
Synonyms:
HIV-1 Protease | HIV-1 Protease, recombinant, isolate HXB2
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM32391
Synonyms:
iso-butyl-substituted sulfonamide, 9b
Type:
Small organic molecule
Emp. Form.:
C24H39N5O4S2
Mol. Mass.:
525.728
SMILES:
CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 PR Substrate Peptide
Synonyms:
n/a
Type:
fluorogenic substrate
Mol. Mass.:
2590.28
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
ATHRILENLEPNPHEGLNARGNH