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Target
Cathepsin S
Ligand
BDBM447431
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.483±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:
BDBM447431
Synonyms:
(2S,4R)-4-(4-(2-aminopyrimidin-5-yl)phenylsulfonyl)-N-(1-cyanocyclopropyl)-1-(1-(trifluoromethyl)cyclopropanecarbonyl)pyrrolidine-2-carboxamide | US10689339, Example 39
Type:
Small organic molecule
Emp. Form.:
C24H23F3N6O4S
Mol. Mass.:
548.537
SMILES:
Nc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Structure:
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