Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19610
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
15±n/a nM
Citation
Alper, PB; Liu, H; Chatterjee, AK; Nguyen, KT; Tully, DC; Tumanut, C; Li, J; Harris, JL; Tuntland, T; Chang, J; Gordon, P; Hollenbeck, T; Karanewsky, DS Arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 2: Optimization of P1 and N-aryl. Bioorg Med Chem Lett 16:1486-90 (2006) [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:
BDBM19610
Synonyms:
(2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide | arylaminoethyl amide, 7a
Type:
Small organic molecule
Emp. Form.:
C24H33N3O3
Mol. Mass.:
411.5371
SMILES:
COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|