Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM9612
Substrate
Biotinylated HIV-1 Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
51±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:
BDBM9612
Synonyms:
(R)-N-(1S,2R)-[3-[2-[[(1,1-Dimethylethyl)-amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)-propyl]-2-(carbamoylamino)-4-oxo-4-(benzyloxy)butanamide | Carboxamide analog 7 | benzyl (3R)-3-{[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-3-(carbamoylamino)propanoate
Type:
Small organic molecule
Emp. Form.:
C33H40N4O6
Mol. Mass.:
588.6939
SMILES:
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(N)=O |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