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Target
Protease
Ligand
BDBM12877
Substrate
n/a
Meas. Tech.
ChEMBL_858662 (CHEMBL2166544)
Ki
0.001±n/a nM
Citation
 Parai, MK; Huggins, DJ; Cao, H; Nalam, MN; Ali, A; Schiffer, CA; Tidor, B; Rana, TM Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J Med Chem 55:6328-41 (2012) [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:
BDBM12877
Synonyms:
(5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-methoxyphenyl)sulfonyl]amino]propyl]-2-oxooxazolidine-5-carboxamide | (5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide | N-Aryl-oxazolidinone-5-carboxamide Analogue 21e
Type:
Small organic molecule
Emp. Form.:
C33H39N3O8S
Mol. Mass.:
637.743
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)c1cccc(c1)C(C)=O |r|
Structure:
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