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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50422319
Substrate
n/a
Meas. Tech.
ChEMBL_158034 (CHEMBL768258)
IC50
0.10±n/a nM
Citation
 Jayatilleke, PR; Nair, AC; Zauhar, R; Welsh, WJ Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models. J Med Chem 43:4446-51 (2000) [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:
BDBM50422319
Synonyms:
CHEMBL138828
Type:
Small organic molecule
Emp. Form.:
C33H40N2O6
Mol. Mass.:
560.6805
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@@H](O)C(O)c2ccccc12
Structure:
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