Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1215
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
5.8±n/a nM
IC50
190±n/a nM
Citation
 Lehr, PBillich, ACharpiot, BEttmayer, PScholz, DRosenwirth, BGstach, H Inhibitors of human immunodeficiency virus type 1 protease containing 2-aminobenzyl-substituted 4-amino-3-hydroxy-5-phenylpentanoic acid: synthesis, activity, and oral bioavailability. J Med Chem 39:2060-7 (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:
BDBM1215
Synonyms:
(2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}butanamido]-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide | 2-Aminobenzyl-Substituted AHPPA deriv. 31
Type:
Small organic molecule
Emp. Form.:
C39H49N7O6S
Mol. Mass.:
743.915
SMILES:
COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)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