Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19487
Substrate
BDBM19480
Meas. Tech.
In Vitro Enzyme Assay
pH
6.1000±n/a
Temperature
310.1500±n/a K
Ki
48.7±2 nM
Citation
 Inagaki, H; Tsuruoka, H; Hornsby, M; Lesley, SA; Spraggon, G; Ellman, JA Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J Med Chem 50:2693-9 (2007) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM19487
Synonyms:
2-[2-(2,3-difluoro-4-propylphenyl)phenoxy]acetaldehyde | Aldehyde Inhibitor, 12d
Type:
Small organic molecule
Emp. Form.:
C17H16F2O2
Mol. Mass.:
290.11
SMILES:
CCCc1ccc(c(F)c1F)-c1ccccc1OCC=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19480
Synonyms:
Fluorogenic substrate | Z-Leu-Arg-AMC | Cbz-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: