Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM109842
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Ki
24±0.0 nM
Citation
 Schudok, M; Wagner, M; Bauer, A; Kohlmann, A Spirocyclic nitriles as protease inhibitors US Patent  US8609681 Publication Date 12/17/2013 
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:
BDBM109842
Synonyms:
US8609681, 45
Type:
Small organic molecule
Emp. Form.:
C20H31F2N5O3
Mol. Mass.:
427.4886
SMILES:
CC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)NCC(C)(C)CO2)C(=O)NC1(CC1)C#N |r|
Structure:
Search PDB for entries with ligand similarity: