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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50005700
Substrate
n/a
Meas. Tech.
ChEMBL_158033 (CHEMBL768257)
IC50
26±n/a nM
Citation
 Waller, CL; Oprea, TI; Giolitti, A; Marshall, GR Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules. J Med Chem 36:4152-60 (1994) [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:
BDBM50005700
Synonyms:
CHEMBL3085514 | benzyl N-[(1S)-1-{[(2S)-4-[2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C32H43N5O7
Mol. Mass.:
609.7131
SMILES:
CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Structure:
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