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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM9291
Substrate
n/a
Meas. Tech.
ChEMBL_158031 (CHEMBL768622)
IC50
0.05±n/a nM
Citation
 Holloway, MK; Wai, JM; Halgren, TA; Fitzgerald, PM; Vacca, JP; Dorsey, BD; Levin, RB; Thompson, WJ; Chen, LJ; deSolms, SJ A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site. J Med Chem 38:305-17 (1995) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM9291
Synonyms:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-[(3R)-oxolan-3-yl]-2-(quinolin-2-ylformamido)acetamido]-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide | Ro 31-8959 (Saquinavir) analog 23
Type:
Small organic molecule
Emp. Form.:
C40H53N5O5
Mol. Mass.:
683.8793
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCOC1 |r|
Structure:
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