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Target
Cathepsin S
Ligand
BDBM50560492
Substrate
n/a
Meas. Tech.
ChEMBL_2072255 (CHEMBL4727789)
Ki
43±n/a nM
Citation
 Lemke, C; Cianni, L; Feldmann, C; Gilberg, E; Yin, J; Dos Reis Rocho, F; de Vita, D; Bartz, U; Bajorath, J; Montanari, CA; Gütschow, M N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50560492
Synonyms:
CHEMBL4761912
Type:
Small organic molecule
Emp. Form.:
C21H24ClN3O3S
Mol. Mass.:
433.952
SMILES:
CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|
Structure:
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