Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin S
LigandBDBM50221237
Substrate/Competitorn/a
Meas. Tech.ChEMBL_449532
IC50 140±n/a nM
Citation Wei, JPio, BACai, HMeduna, SPSun, SGu, YJiang, WThurmond, RLKarlsson, LEdwards, JP Pyrazole-based cathepsin S inhibitors with improved cellular potency. Bioorg Med Chem Lett17:5525-8 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin S
Name:Cathepsin S
Synonyms: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:
BDBM50221237
NameBDBM50221237
Synonyms:CHEMBL238407 | methyl 3-(1-(3-(5-acetyl-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-2-hydroxypropyl)piperidin-4-yl)-6-fluorobenzo[b]thiophene-2-carboxylate
TypeSmall organic molecule
Emp. Form.C33H34F4N4O4S
Mol. Mass.658.706
SMILESCOC(=O)c1sc2cc(F)ccc2c1C1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(cc2)C(F)(F)F)CC1 |w:19.21|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a