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Target
Cathepsin S
Ligand
BDBM447456
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.650±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:
BDBM447456
Synonyms:
(2S,4R)—N-(1-cyanocyclopropyl)-4-(4-(3,5-dimethylisoxazol-4-yl)-2-methylphenylsulfonyl)-1-(1-(trifluoromethyl)cyclopropanecarbonyl)pyrrolidine-2-carboxamide | US10689339, Example 64
Type:
Small organic molecule
Emp. Form.:
C26H27F3N4O5S
Mol. Mass.:
564.577
SMILES:
Cc1noc(C)c1-c1ccc(c(C)c1)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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