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TargetProtease
LigandBDBM50469417
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1804115
Ki 0.001200±n/a nM
Citation Ghosh, AKWilliams, JNHo, RYSimpson, HMHattori, SIHayashi, HAgniswamy, JWang, YFWeber, ITMitsuya, H Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J Med Chem61:9722-9737 (2018) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50469417
NameBDBM50469417
Synonyms:CHEMBL4293023
TypeSmall organic molecule
Emp. Form.C28H37N3O8S
Mol. Mass.575.674
SMILES[H][C@]12C[C@H](C[C@@]1([H])OC(=O)N2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure
n/a