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TargetCathepsin S
LigandBDBM50314164
Substrate/Competitorn/a
Meas. Tech.ChEMBL_624072
IC50 410±n/a nM
Citation Lee-Dutra, AWiener, DKArienti, KLLiu, JMani, NAmeriks, MKAxe, FUGebauer, DDesai, PJNguyen, SRandal, MThurmond, RLSun, SKarlsson, LEdwards, JPJones, TKGrice, CA Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors: part 1. Bioorg Med Chem Lett20:2370-4 (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:
BDBM50314164
NameBDBM50314164
Synonyms:1-(1-(3-(5-(methylsulfonyl)-3-(3-(2-(pyrrolidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one | CHEMBL1093952
TypeSmall organic molecule
Emp. Form.C32H45F3N6O3S2
Mol. Mass.682.863
SMILESCS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCCC2)c1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a