Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19701
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
34±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:
BDBM19701
Synonyms:
(2S)-3-cyclohexyl-2-{[5-(3-fluorophenyl)furan-2-yl]formamido}-N-(2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)propanamide | arylaminoethyl amide deriv. 15
Type:
Small organic molecule
Emp. Form.:
C29H31F4N3O4
Mol. Mass.:
561.5678
SMILES:
Fc1cccc(c1)-c1ccc(o1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)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: