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Target
Cathepsin S
Ligand
BDBM50546795
Substrate
n/a
Meas. Tech.
ChEMBL_2016727 (CHEMBL4670305)
EC50
1100±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:
BDBM50546795
Synonyms:
CHEMBL4777740
Type:
Small organic molecule
Emp. Form.:
C22H26N6O4S2
Mol. Mass.:
502.61
SMILES:
O=C(Cc1cccs1)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r|
Structure:
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