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Target
Cathepsin S
Ligand
BDBM447415
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
1.12±n/a nM
Citation
 Haap, W; Kuhn, B; Luebbers, T; Peters, J Pyrrolidine derivatives US Patent  US10689339 Publication Date 6/23/2020 
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:
BDBM447415
Synonyms:
(2S,4R)-4-[4-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-2-trifluoromethyl-benzenesulfonyl]-1-(1-trifluoromethyl-cyclopropanecarbonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | US10689339, Example 23
Type:
Small organic molecule
Emp. Form.:
C26H22F9N5O4S
Mol. Mass.:
671.535
SMILES:
Cc1cc(nn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
Structure:
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