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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50282092
Substrate
n/a
Meas. Tech.
ChEMBL_159319 (CHEMBL769372)
IC50
70±n/a nM
Citation
 Trova, MP; Babine, RE; Byrn, RA; Casscles, WT; Hastings, RC; Hsu, GC; Jirousek, MR; Johnson, BD; Kerwar, SS; Schow, SR; Wissner, A; Zhang, N; Wick, MM Synthesis and biological evaluation of a series of HIV-1 protease inhibitors Bioorg Med Chem Lett 3:1595-1600 (1993)    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:
BDBM50282092
Synonyms:
CHEMBL412878 | Isoquinoline-3-carboxylic acid {(1S,2S)-2-[(R)-2-benzyl-5-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-4-hydroxy-pentanoylamino]-cyclohexyl}-amide
Type:
Small organic molecule
Emp. Form.:
C42H57N5O4
Mol. Mass.:
695.9331
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1
Structure:
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