Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19513
Substrate
BDBM19490
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
295.15±n/a K
IC50
1.3±n/a nM
Citation
Gauthier, JY; Black, WC; Courchesne, I; Cromlish, W; Desmarais, S; Houle, R; Lamontagne, S; Li, CS; Massé, F; McKay, DJ; Ouellet, M; Robichaud, J; Truchon, JF; Truong, VL; Wang, Q; Percival, MD The identification of potent, selective, and bioavailable cathepsin S inhibitors. Bioorg Med Chem Lett 17:4929-33 (2007) [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:
BDBM19513
Synonyms:
(2R)-3-(1,3-benzothiazole-2-sulfonyl)-N-(1-cyanocyclopropyl)-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}propanamide | trifluoroethylamine inhibitor, 23
Type:
Small organic molecule
Emp. Form.:
C22H19F3N4O3S2
Mol. Mass.:
508.536
SMILES:
FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nc2ccccc2s1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|