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Target
Cathepsin S
Ligand
BDBM50121557
Substrate
n/a
Meas. Tech.
ChEMBL_673603 (CHEMBL1274780)
IC50
9±n/a nM
Citation
 Fleming, FF; Yao, L; Ravikumar, PC; Funk, L; Shook, BC Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore. J Med Chem 53:7902-17 (2010) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50121557
Synonyms:
CHEMBL151642 | Morpholine-4-carboxylic acid (1-{[(4-chloro-benzyloxymethyl)-cyano-methyl]-carbamoyl}-3-methyl-butyl)-amide
Type:
Small organic molecule
Emp. Form.:
C21H29ClN4O4
Mol. Mass.:
436.932
SMILES:
CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccc(Cl)cc1)C#N
Structure:
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