Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM9609
Substrate
Biotinylated HIV-1 Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
85±n/a nM
Citation
 Jungheim, LN; Shepherd, TA; Baxter, AJ; Burgess, J; Hatch, SD; Lubbehusen, P; Wiskerchen, M; Muesing, MA Potent human immunodeficiency virus type 1 protease inhibitors that utilize noncoded D-amino acids as P2/P3 ligands. J Med Chem 39:96-108 (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:
BDBM9609
Synonyms:
(R)-N-(1S,2R)-[3-[2-[[1,1-Dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]2-(acetoxyamino)-4-oxo-4-(benzyloxy)butanamide | Carboxamide analog 4 | benzyl (3R)-3-{[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-3-acetamidopropanoate
Type:
Small organic molecule
Emp. Form.:
C34H41N3O6
Mol. Mass.:
587.7058
SMILES:
CC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Biotinylated HIV-1 Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2106.93
Organism:
n/a
Description:
n/a
Residue:
19
Sequence:
ITINGSQNYPIVGKFITCH