Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19692
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
227±n/a nM
Citation
 Tully, DC; Liu, H; Chatterjee, AK; Alper, PB; Williams, JA; Roberts, MJ; Mutnick, D; Woodmansee, DH; Hollenbeck, T; Gordon, P; Chang, J; Tuntland, T; Tumanut, C; Li, J; Harris, JL; Karanewsky, DS Arylaminoethyl carbamates as a novel series of potent and selective cathepsin S inhibitors. Bioorg Med Chem Lett 16:5107-11 (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:
BDBM19692
Synonyms:
(1S)-2-cyclohexyl-1-(dimethylcarbamoyl)ethyl N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]carbamate | Arylaminoethyl carbamate, 26
Type:
Small organic molecule
Emp. Form.:
C25H38FN3O3
Mol. Mass.:
447.5859
SMILES:
C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N(C)C |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: