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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50368282
Substrate
n/a
Meas. Tech.
ChEMBL_158033 (CHEMBL768257)
IC50
58±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:
BDBM50368282
Synonyms:
CHEMBL1790558
Type:
Small organic molecule
Emp. Form.:
C49H67N7O7
Mol. Mass.:
866.099
SMILES:
CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
Structure:
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