Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50197928
Substrate
n/a
Meas. Tech.
ChEMBL_1620103 (CHEMBL3862386)
IC50
102±n/a nM
Citation
 Plebanek, E; Chevrier, F; Roy, V; Garenne, T; Lecaille, F; Warszycki, D; Bojarski, AJ; Lalmanach, G; Agrofoglio, LA Straightforward synthesis of 2,4,6-trisubstituted 1,3,5-triazine compounds targeting cysteine cathepsins K and S. Eur J Med Chem 121:12-20 (2016) [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:
BDBM50197928
Synonyms:
CHEMBL3945803
Type:
Small organic molecule
Emp. Form.:
C17H17F3N6
Mol. Mass.:
362.3523
SMILES:
FC(F)(F)c1ccc(Nc2nc(NC3CCCCC3)nc(n2)C#N)cc1
Structure:
Search PDB for entries with ligand similarity: