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Target
Cathepsin S
Ligand
BDBM19518
Substrate
n/a
Meas. Tech.
ChEMBL_321238 (CHEMBL881773)
IC50
451.0±n/a nM
Citation
 Black, WC; Bayly, CI; Davis, DE; Desmarais, S; Falgueyret, JP; Léger, S; Li, CS; Massé, F; McKay, DJ; Palmer, JT; Percival, MD; Robichaud, J; Tsou, N; Zamboni, R Trifluoroethylamines as amide isosteres in inhibitors of cathepsin K. Bioorg Med Chem Lett 15:4741-4 (2005) [PubMed]  Article 
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:
BDBM19518
Synonyms:
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(piperazin-1-yl)phenyl]phenyl}ethyl]amino}pentanamide | CHEMBL195454 | trifluoroethylamine analogue, 1
Type:
Small organic molecule
Emp. Form.:
C26H32F3N5O
Mol. Mass.:
487.5604
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|
Structure:
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