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TargetCathepsin S
LigandBDBM50321627
Substrate/Competitorn/a
Meas. Tech.ChEMBL_639833
IC50 8000±n/a nM
Citation Ameriks, MKBembenek, SDBurdett, MTChoong, ICEdwards, JPGebauer, DGu, YKarlsson, LPurkey, HEStaker, BLSun, SThurmond, RLZhu, J Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors. Bioorg Med Chem Lett20:4060-4 (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:
BDBM50321627
NameBDBM50321627
Synonyms:CHEMBL1171505 | N-(2-chloro-5-(4-(3-(4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-3-oxo-3,4-dihydropyrazin-2-yl)benzyl)-4-fluorobenzamide
TypeSmall organic molecule
Emp. Form.C34H33Cl2FN6O3
Mol. Mass.663.569
SMILESCn1c2ccc(Cl)cc2n(C2CCN(CCCn3ccnc(-c4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)c3=O)CC2)c1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a