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TargetProtease
LigandBDBM12877
Substrate/Competitorn/a
Meas. Tech.ChEMBL_858662
Ki 0.800000±n/a nM
Citation Parai, MKHuggins, DJCao, HNalam, MNAli, ASchiffer, CATidor, BRana, TM Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J Med Chem55:6328-41 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Protease
Name:Protease
Synonyms:n/a
Type:Enzyme
Mol. Mass.:10904.79
Organism:Human immunodeficiency virus 1 (HIV-1)
Description:Q9YQ12
Residue:99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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  Blast E-value cutoff:
BDBM12877
NameBDBM12877
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
TypeSmall organic molecule
Emp. Form.C33H39N3O8S
Mol. Mass.637.743
SMILESCOc1ccc(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
n/a