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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50005703
Substrate
n/a
Meas. Tech.
ChEMBL_158033 (CHEMBL768257)
IC50
13±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:
BDBM50005703
Synonyms:
2-[2-({1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propionylamino)-2-hydroxy-4-phenyl-butyl]-pyrrolidine-2-carbonyl}-amino)-3-methyl-pentanoylamino]-3-methyl-butyric acid methyl ester | BDBM50010491 | CHEMBL111958
Type:
Small organic molecule
Emp. Form.:
C39H56N6O9
Mol. Mass.:
752.8967
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC
Structure:
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