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TargetCathepsin S
LigandBDBM50314195
Substrate/Competitorn/a
Meas. Tech.ChEMBL_624074
IC50 1130±n/a nM
Citation Wiener, JJWickboldt, ATWiener, DKLee-Dutra, AEdwards, JPKarlsson, LNguyen, SSun, SJones, TKGrice, CA Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors. Part 2: Modification of P3, P4, and P5 regions. Bioorg Med Chem Lett20:2375-8 (2010) [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:
BDBM50314195
NameBDBM50314195
Synonyms:(+/-)-1-(3-(3-(2-aminoethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(piperidin-1-yl)propan-2-ol | CHEMBL1090021
TypeSmall organic molecule
Emp. Form.C24H34F3N5O3S2
Mol. Mass.561.684
SMILESCS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(c(SCCN)c1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a