Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19723
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
32±n/a nM
Citation
Tully, DC; Liu, H; Chatterjee, AK; Alper, PB; Epple, R; Williams, JA; Roberts, MJ; Woodmansee, DH; Masick, BT; Tumanut, C; Li, J; Spraggon, G; Hornsby, M; Chang, J; Tuntland, T; Hollenbeck, T; Gordon, P; Harris, JL; Karanewsky, DS Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers. Bioorg Med Chem Lett 16:5112-7 (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:
BDBM19723
Synonyms:
(2R)-2-(morpholin-4-ylcarbonylamino)-3-(phenylmethane)sulfonyl-N-[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl]propanamide | arylaminoethyl amide deriv. 37
Type:
Small organic molecule
Emp. Form.:
C25H31F3N4O6S
Mol. Mass.:
572.597
SMILES:
C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1 |r|