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Target
Cathepsin S
Ligand
BDBM50546794
Substrate
n/a
Meas. Tech.
ChEMBL_2214217 (CHEMBL5127349)
Ki
0.090000±n/a nM
Citation
 de Esch, IJP; Erlanson, DA; Jahnke, W; Johnson, CN; Walsh, L Fragment-to-Lead Medicinal Chemistry Publications in 2020. J Med Chem 65:84-99 (2022) [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:
BDBM50546794
Synonyms:
CHEMBL4777335
Type:
Small organic molecule
Emp. Form.:
C22H32N6O4S
Mol. Mass.:
476.592
SMILES:
CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r|
Structure:
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