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TargetCathepsin S
LigandBDBM50314245
Substrate/Competitorn/a
Meas. Tech.ChEMBL_624117
IC50 250±n/a nM
Citation Wiener, DKLee-Dutra, ABembenek, SNguyen, SThurmond, RLSun, SKarlsson, LGrice, CAJones, TKEdwards, JP Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors. Bioorg Med Chem Lett20:2379-82 (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
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  Blast E-value cutoff:
BDBM50314245
NameBDBM50314245
Synonyms:CHEMBL1090987 | rac-2-(5-(5-ethyl-1-(2-hydroxy-3-(4-(pyridin-2-yl)piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-(pyrrolidin-1-yl)ethanone
TypeSmall organic molecule
Emp. Form.C34H43F3N6O2S
Mol. Mass.656.804
SMILESCCN1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1ccccn1)-c1ccc(c(SCC(=O)N2CCCC2)c1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a