Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19569
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
Ki
9.4±n/a nM
Citation
Liu, H; Tully, DC; Epple, R; Bursulaya, B; Li, J; Harris, JL; Williams, JA; Russo, R; Tumanut, C; Roberts, MJ; Alper, PB; He, Y; Karanewsky, DS Design and synthesis of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 1. Bioorg Med Chem Lett 15:4979-84 (2005) [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:
BDBM19569
Synonyms:
(2S)-2-[(5-chloro-1-benzofuran-2-yl)formamido]-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide | arylaminoethyl amide, 7
Type:
Small organic molecule
Emp. Form.:
C27H32ClN3O4
Mol. Mass.:
498.014
SMILES:
COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3cc(Cl)ccc3o2)cc1 |r|