Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM130441
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
IC50
2.33±n/a nM
Citation
 Anselm, L; Banner, D; Haap, W; Kuhn, B; Luebbers, T; Peters, J; Spinnler, B Azetidine derivatives US Patent  US8822505 Publication Date 9/2/2014 
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:
BDBM130441
Synonyms:
US8822505, 43
Type:
Small organic molecule
Emp. Form.:
C30H27Cl2FN6O4S
Mol. Mass.:
657.543
SMILES:
Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r|
Structure:
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