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Target
Cathepsin S
Ligand
BDBM240596
Substrate
n/a
Meas. Tech.
ChEMBL_2225665 (CHEMBL5139178)
IC50
0.600000±n/a nM
Citation
 Cons, BD; Twigg, DG; Kumar, R; Chessari, G Electrostatic Complementarity in Structure-Based Drug Design. J Med Chem 65:7476-7488 (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:
BDBM240596
Synonyms:
US9409882, 1
Type:
Small organic molecule
Emp. Form.:
C25H24Cl2N4O5S
Mol. Mass.:
563.453
SMILES:
COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r|
Structure:
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