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TargetCathepsin S
LigandBDBM50162857
Substrate/Competitorn/a
Meas. Tech.ChEBML_305074
IC50 50±n/a nM
Citation Gustin, DJSehon, CAWei, JCai, HMeduna, SPKhatuya, HSun, SGu, YJiang, WThurmond, RLKarlsson, LEdwards, JP Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors. Bioorg Med Chem Lett15:1687-91 (2005) [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:
BDBM50162857
NameBDBM50162857
Synonyms:1-(1-{3-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one | CHEMBL180876
TypeSmall organic molecule
Emp. Form.C28H33BrN6O3S
Mol. Mass.613.569
SMILESCS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)-c1ccc(Br)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a