Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50059899
Substrate
n/a
Meas. Tech.
ChEMBL_27816 (CHEMBL636706)
IC50
10000±n/a nM
Citation
 Boyle, NA; Talesa, V; Giovannini, E; Rosi, G; Norton, SJ Synthesis and study of thiocarbonate derivatives of choline as potential inhibitors of acetylcholinesterase. J Med Chem 40:3009-13 (1997) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67659.62
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50059899
Synonyms:
(2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammonium; chloride | CHEMBL102226
Type:
Small organic molecule
Emp. Form.:
C13H28NO2S
Mol. Mass.:
262.431
SMILES:
CCCCCCCSC(=O)OCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: