Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19614
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
29±n/a nM
Citation
 Tully, DC; Liu, H; Alper, PB; Chatterjee, AK; Epple, R; Roberts, MJ; Williams, JA; Nguyen, KT; Woodmansee, DH; Tumanut, C; Li, J; Spraggon, G; Chang, J; Tuntland, T; Harris, JL; Karanewsky, DS Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3. Bioorg Med Chem Lett 16:1975-80 (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:
BDBM19614
Synonyms:
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide | Heterocyclic arylaminoethyl amide, 3
Type:
Small organic molecule
Emp. Form.:
C25H32N4O3
Mol. Mass.:
436.5466
SMILES:
COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19546
Synonyms:
7-amino-3-carbamoylmethyl-4-methyl coumarin labeled fluorescent peptide | Ac-His-Pro-Val-Lys-ACMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: