Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [514-612]
Ligand
BDBM968
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
63±n/a nM
Citation
 Scholz, D; Billich, A; Charpiot, B; Ettmayer, P; Lehr, P; Rosenwirth, B; Schreiner, E; Gstach, H Inhibitors of HIV-1 proteinase containing 2-heterosubstituted 4-amino-3-hydroxy-5-phenylpentanoic acid: synthesis, enzyme inhibition, and antiviral activity. J Med Chem 37:3079-89 (1994) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [514-612]
Synonyms:
HIV-2 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [514-612]
Synonyms:
HIV-2 Protease chain A | HIV-2 Protease chain B | POL_HV2RO | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10718.25
Organism:
Human immunodeficiency virus type 2
Description:
P04584[514-612]
Residue:
99
Sequence:
PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL
  
Component 2
Name:
Gag-Pol polyprotein [514-612]
Synonyms:
HIV-2 Protease chain A | HIV-2 Protease chain B | POL_HV2RO | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10718.25
Organism:
Human immunodeficiency virus type 2
Description:
P04584[514-612]
Residue:
99
Sequence:
PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL
  
Inhibitor
Name:
BDBM968
Synonyms:
(2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylpropyl]-3-hydroxy-4-[(2S)-2-[3-(4-hydroxyphenyl)propanamido]-3,3-dimethylbutanamido]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide | 5PhBuCOOH deriv. | Statine deriv. 51 | Tle-Val-Sta
Type:
Small organic molecule
Emp. Form.:
C47H59N7O7
Mol. Mass.:
834.0141
SMILES:
COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(O)cc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3062.94
Organism:
Synthesized
Description:
n/a
Residue:
29
Sequence:
HLYSALAARGVALLEPNPHGLALANLENH