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TargetCathepsin S
LigandBDBM50221221
Substrate/Competitorn/a
Meas. Tech.ChEMBL_449532
IC50 27±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:
BDBM50221221
NameBDBM50221221
Synonyms:CHEMBL397622 | ethyl 3-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-1H-indole-5-carboxylate
TypeSmall organic molecule
Emp. Form.C33H38F3N5O5S
Mol. Mass.673.746
SMILESCCOC(=O)c1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1 |w:17.17|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a