Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19674
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
Ki
616±n/a nM
Citation
Chatterjee, AK; Liu, H; Tully, DC; Guo, J; Epple, R; Russo, R; Williams, J; Roberts, M; Tuntland, T; Chang, J; Gordon, P; Hollenbeck, T; Tumanut, C; Li, J; Harris, JL Synthesis and SAR of succinamide peptidomimetic inhibitors of cathepsin S. Bioorg Med Chem Lett 17:2899-903 (2007) [PubMed] Article
More Info.:
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:
BDBM19674
Synonyms:
(2S)-N-[(1S)-1-cyclopropyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]-4-(morpholin-4-yl)-4-oxo-2-[4-(trifluoromethyl)phenyl]butanamide | succinamide peptidomimetic, 40
Type:
Small organic molecule
Emp. Form.:
C27H29F6N3O4
Mol. Mass.:
573.5273
SMILES:
FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)C2CC2)cc1 |r|