Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM957
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
10.2±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 [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:
BDBM957
Synonyms:
(2R,3R,4S)-4-[(2S)-2-{[(1H-1,3-benzodiazol-2-ylmethyl)(methyl)carbamoyl]amino}-3-methylbutanamido]-2-(benzylamino)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-3-hydroxy-5-phenylpentanamide | 5PhBuCOOH deriv. | Statine deriv. 40 | Tle-Val-Sta
Type:
Small organic molecule
Emp. Form.:
C45H56N8O5
Mol. Mass.:
788.9767
SMILES:
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1nc2ccccc2[nH]1)C(C)C)C(=O)NCc1ccccc1 |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