Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19604
Substrate
BDBM19546
Meas. Tech.
Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
14±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:
BDBM19604
Synonyms:
(2S)-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-4-methanesulfonylbutan-2-yl]-2-[(3-methoxyphenyl)formamido]-4,4-dimethylpentanamide | arylaminoethyl amide, 8l
Type:
Small organic molecule
Emp. Form.:
C28H38FN3O5S
Mol. Mass.:
547.682
SMILES:
COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN1CCc2cc(F)ccc12 |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: