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TargetCathepsin S
LigandBDBM19856
Substrate/Competitorn/a
Meas. Tech.ChEMBL_304818
IC50 2010±n/a nM
Citation Robichaud, JBayly, COballa, RPrasit, PMellon, CFalgueyret, JPPercival, MDWesolowski, GRodan, SB Rational design of potent and selective NH-linked aryl/heteroaryl cathepsin K inhibitors. Bioorg Med Chem Lett14:4291-5 (2004) [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:
BDBM19856
NameBDBM19856
Synonyms:(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide | CHEMBL184514 | JMC463709 (R)-2 | piperazine-containing compound, 11
TypeSmall organic molecule
Emp. Form.C24H30N4O
Mol. Mass.390.5212
SMILESCC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a