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Target
Protease
Ligand
BDBM12883
Substrate
n/a
Meas. Tech.
ChEMBL_685646 (CHEMBL1285548)
Ki
0.0060±n/a nM
Citation
 Ali, A; Reddy, GS; Nalam, MN; Anjum, SG; Cao, H; Schiffer, CA; Rana, TM Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones. J Med Chem 53:7699-708 (2010) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM12883
Synonyms:
(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]dioxole-5-sulfonyl)](isobutyl)amino]-1-benzyl-2-hydroxypropyl]-2-oxooxazolidine-5-carboxamide | (5S)-N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 26e
Type:
Small organic molecule
Emp. Form.:
C33H37N3O9S
Mol. Mass.:
651.727
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r|
Structure:
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