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TargetCholinesterases; ACHE & BCHE
LigandBDBM50117599
Substrate/Competitorn/a
Meas. Tech.ChEMBL_28291
IC50 43±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 Lett12:2569-72 (2002) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterases; ACHE & BCHE
Name:Cholinesterases; ACHE & BCHE
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:Enzyme
Mol. Mass.:67792.70
Organism:Homo sapiens (human)
Description:n/a
Residue:614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50117599
NameBDBM50117599
Synonyms:1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-1-hydroxy-3-oxo-propyl]-1-methyl-piperidinium; bromide | CHEMBL315013
TypeSmall organic molecule
Emp. Form.C26H32NO4S
Mol. Mass.454.601
SMILESCOc1cc2cc(sc2cc1OC)C(=O)CC(O)C1CC[N+](C)(Cc2ccccc2)CC1 |(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,;9.94,-3.55,;8.45,-3.06,;7.14,-3.83,;5.81,-3.06,;4.48,-3.83,;3.16,-3.06,;12.39,-2.29,;13.16,-3.62,;13.16,-.96,;14.7,-.96,;15.47,-2.29,;15.47,.37,;16.99,.27,;17.86,1.54,;17.18,2.93,;16.18,4.08,;18.04,4.2,;19.58,4.1,;20.25,2.71,;21.78,2.61,;22.64,3.89,;21.96,5.27,;20.42,5.37,;15.64,3.03,;14.78,1.75,)|
Structure
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n/a