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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM491
Substrate
n/a
Meas. Tech.
ChEMBL_158032 (CHEMBL766933)
IC50
6501.3±n/a nM
Citation
 Oprea, TI; Waller, CL; Marshall, GR Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes. J Med Chem 37:2206-15 (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:
BDBM491
Synonyms:
(Hydroxyethyl)urea Isostere deriv. 19 | benzyl N-[(1S)-1-{[(2S,3R)-4-[(tert-butylcarbamoyl)[(1R)-1-phenylethyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C35H45N5O6
Mol. Mass.:
631.7617
SMILES:
C[C@@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1 |r|
Structure:
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