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Target
Cathepsin S
Ligand
BDBM240627
Substrate
US9409882, Z-Val-Val-Arg-AMC
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
IC50
0.686±n/a nM
Citation
 Anselm, L; Banner, D; Haap, W; Kuhn, B; Luebbers, T; Peters, J; Spinnler, B Pyridine derivatives US Patent  US9409882 Publication Date 8/9/2016 
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:
BDBM240627
Synonyms:
US9409882, 32
Type:
Small organic molecule
Emp. Form.:
C29H23Cl3FN5O4S
Mol. Mass.:
662.946
SMILES:
Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1 |r|
Structure:
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Substrate
Name:
BDBM210882
Synonyms:
n/a
Type:
Small organic molecule
Emp. Form.:
C34H45N7O7
Mol. Mass.:
663.7638
SMILES:
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc2c(-[#6])cc(=O)oc2c1
Structure:
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