Target
Cathepsin S
Ligand
BDBM240610
Substrate
US9409882, Z-Val-Val-Arg-AMC
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
IC50
11.075±n/a nM
Citation
 Anselm, LBanner, DHaap, WKuhn, BLuebbers, TPeters, JSpinnler, 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:
BDBM240610
Synonyms:
US9409882, 15
Type:
Small organic molecule
Emp. Form.:
C24H20Cl2F2N4O4S
Mol. Mass.:
569.408
SMILES:
Fc1ccc(c(Cl)c1)S(=O)(=O)C1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |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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