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Target
Acetylcholinesterase
Ligand
BDBM50059903
Substrate
n/a
Meas. Tech.
ChEMBL_27826 (CHEMBL636715)
Ki
1000±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:
BDBM50059903
Synonyms:
CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyloxy-ethyl)-ammonium; chloride
Type:
Small organic molecule
Emp. Form.:
C11H24NO2S
Mol. Mass.:
234.378
SMILES:
CCCCCSC(=O)OCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: