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TargetAcetylcholinesterase
LigandBDBM50004038
Substrate/Competitorn/a
Meas. Tech.ChEBML_28911
IC50 1100±n/a nM
Citation Sugimoto, HTsuchiya, YSugumi, HHigurashi, KKaribe, NIimura, YSasaki, AAraki, SYamanishi, YYamatsu, K Synthesis and structure-activity relationships of acetylcholinesterase inhibitors: 1-benzyl-4-(2-phthalimidoethyl)piperidine and related derivatives. J Med Chem35:4542-8 (1993) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor
Type:Enzyme
Mol. Mass.:68165.65
Organism:Mus musculus (mouse)
Description:n/a
Residue:614
Sequence:
MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
IACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50004038
NameBDBM50004038
Synonyms:2-(2-(1-benzylpiperidin-4-yl)ethyl)isoquinolin-1(2H)-one | 2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2H-isoquinolin-1-one | CHEMBL141203
TypeSmall organic molecule
Emp. Form.C23H26N2O
Mol. Mass.346.4653
SMILESO=c1n(CCC2CCN(Cc3ccccc3)CC2)ccc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a