Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProtease
LigandBDBM50484348
Substrate/Competitorn/a
Meas. Tech.ChEMBL_772987 (CHEMBL1837906)
Ki 27±n/a nM
Citation Ganguly, AKAlluri, SSCaroccia, DBiswas, DWang, CHKang, EZhang, YMcPhail, ATCarroll, SSBurlein, CMunshi, VOrth, PStrickland, C Design, synthesis, and X-ray crystallographic analysis of a novel class of HIV-1 protease inhibitors. J Med Chem54:7176-83 (2011) [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:
BDBM50484348
n/a
NameBDBM50484348
Synonyms:CHEMBL1835837
TypeSmall organic molecule
Emp. Form.C24H30N2O5S
Mol. Mass.458.57
SMILESC[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OCC=C)S(=O)(=O)c2ccccc2C1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: