Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin S
LigandBDBM50401760
Substrate/Competitorn/a
Meas. Tech.ChEMBL_885155 (CHEMBL2213246)
IC50 1.1±n/a nM
Citation Moss, NXiong, ZBurke, MCogan, DGao, DAHaverty, KHeim-Riether, AHickey, ERNagaraja, RNetherton, MO'Shea, KRamsden, PSchwartz, RShih, DTWard, YYoung, EZhang, Q Exploration of cathepsin S inhibitors characterized by a triazole P1-P2 amide replacement. Bioorg Med Chem Lett22:7189-93 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms:CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:Protein
Mol. Mass.:37507.38
Organism:Homo sapiens (Human)
Description:P25774
Residue:331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50401760
n/a
NameBDBM50401760
Synonyms:CHEMBL2207568
TypeSmall organic molecule
Emp. Form.C19H23N5OS
Mol. Mass.369.484
SMILESC[C@](NC(=O)c1ccsc1)(C1CCCCC1)c1cn(nn1)C1(CC1)C#N |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: