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TargetAcetylcholinesterase
LigandBDBM50443031
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1275665
IC50 2500±n/a nM
Citation Andersson, CD; Forsgren, N; Akfur, C; Allgardsson, A; Berg, L; Engdahl, C; Qian, W; Ekström, F; Linusson, A Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors. J Med Chem56:7615-24 (2013) [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:
BDBM50443031
NameBDBM50443031
Synonyms:CHEMBL3087804
TypeSmall organic molecule
Emp. Form.C18H22ClN3O5S
Mol. Mass.427.902
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1
Structure
n/a