Target
Acetylcholinesterase
Ligand
BDBM50117601
Substrate
n/a
Meas. Tech.
ChEBML_28291
EC50
>30000±n/a nM
Citation
 Palin, RClark, JKCowley, PMuir, AWPow, EProsser, ABTaylor, RZhang, MQ Novel piperidinium and pyridinium agents as water-soluble acetylcholinesterase inhibitors for the reversal of neuromuscular blockade. Bioorg Med Chem Lett 12:2569-72 (2002) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50117601
Synonyms:
1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmethylene)-1-methyl-piperidinium; bromide | CHEMBL87550
Type:
Small organic molecule
Emp. Form.:
C24H28NO2S
Mol. Mass.:
394.549
SMILES:
COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC |(3.16,-1.52,;4.48,-.75,;5.81,-1.52,;7.12,-.75,;8.45,-1.52,;9.94,-1.03,;10.85,-2.29,;12.39,-2.29,;13.14,-.96,;14.68,-.79,;15.29,.62,;14.38,1.86,;13.17,2.82,;14.99,3.26,;16.53,3.43,;17.13,4.85,;18.65,5.02,;19.58,3.78,;18.97,2.37,;17.44,2.19,;12.84,1.68,;12.23,.27,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,)|
Structure:
Search PDB for entries with ligand similarity: