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Target
Cathepsin S
Ligand
BDBM123100
Substrate
n/a
Meas. Tech.
Cathepsin S Ki Determination
Ki
14500±n/a nM
Citation
 Oden, LS; Nilsson, M; Kahnberg, P; Samuelsson, B; Grabowska, U Protease inhibitors US Patent  US11312693 Publication Date 4/26/2022 
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:
BDBM123100
Synonyms:
US10723709, Example 4 | US11312693, Example 4 | US8735395, 4
Type:
Small organic molecule
Emp. Form.:
C31H40FN5O4S
Mol. Mass.:
597.744
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-c1nc(sc1F)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-[#6@H]-2-[#8]-[#6]-[#6](=O)-[#6@@H]-1-2 |r|
Structure:
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