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Target
Cathepsin S
Ligand
BDBM50546798
Substrate
n/a
Meas. Tech.
ChEMBL_2016734 (CHEMBL4670312)
Ki
700±n/a nM
Citation
 Schade, M; Merla, B; Lesch, B; Wagener, M; Timmermanns, S; Pletinckx, K; Hertrampf, T Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J Med Chem 63:11801-11808 (2020) [PubMed] 
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:
BDBM50546798
Synonyms:
CHEMBL4779026
Type:
Small organic molecule
Emp. Form.:
C13H19N7O3S
Mol. Mass.:
353.4
SMILES:
CNC(=O)CCS(=O)(=O)N1CCN(CC1)c1ccc2nncn2n1
Structure:
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