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Target
Protease
Ligand
BDBM12884
Substrate
n/a
Meas. Tech.
ChEMBL_685646 (CHEMBL1285548)
Ki
0.100000±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:
BDBM12884
Synonyms:
(5S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-methoxy-phenyl)sulfonyl]amino]propyl]-2-oxo-3-phenyloxazolidine-5-carboxamide | (5S)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 21a
Type:
Small organic molecule
Emp. Form.:
C31H37N3O7S
Mol. Mass.:
595.706
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
Structure:
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