Target
Cathepsin S
Ligand
BDBM19778
Substrate
BDBM19485
Meas. Tech.
Enzyme Inhibition Assay
Ki
1.6±n/a nM
Citation
 Yamashita, DSMarquis, RWXie, RNidamarthy, SDOh, HJJeong, JUErhard, KFWard, KWRoethke, TJSmith, BRCheng, HYGeng, XLin, FOffen, PHWang, BNevins, NHead, MSHaltiwanger, RCNarducci Sarjeant, AALiable-Sands, LMZhao, BSmith, WWJanson, CAGao, ETomaszek, TMcQueney, MJames, IEGress, CJZembryki, DLLark, MWVeber, DF Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem 49:1597-612 (2006) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM19778
Synonyms:
(2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4S,7R)-7-methyl-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide | Azepan-3-one compound 10 | CHEMBL203665
Type:
Small organic molecule
Emp. Form.:
C27H32N4O6S
Mol. Mass.:
540.631
SMILES:
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19485
Synonyms:
Cbz-Phe-Arg-AMC | Fluorogenic substrate | Z-Phe-Arg-AMC.HCl
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: