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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50035632
Substrate
n/a
Meas. Tech.
ChEMBL_159454 (CHEMBL766799)
IC50
66.3±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:
BDBM50035632
Synonyms:
(1R,2R)-1-((2R,4S,5S)-2-Benzyl-5-tert-butoxycarbonylamino-4-hydroxy-6-phenyl-hexanoylamino)-indan-2-carboxylic acid methyl ester | CHEMBL107369
Type:
Small organic molecule
Emp. Form.:
C35H42N2O6
Mol. Mass.:
586.7178
SMILES:
COC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Structure:
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