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TargetAcetylcholinesterase
LigandBDBM152517
Substrate/Competitorn/a
Meas. Tech.In Vitro AChE Inhibition Assay
pH8±n/a
Ki 3.483e+4± 3.42e+3 nM
IC50 1.558e+4± 3e+1 nM
Km1280±2540 nM
Commentsextracted
Citation Piplani, PDanta, CC Design and synthesis of newer potential 4-(N-acetylamino)phenol derived piperazine derivatives as potential cognition enhancers. Bioorg Chem60:64-73 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache
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:
BDBM152517
n/a
NameBDBM152517
Synonyms:N-(4-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethoxy)phenyl)acetamide (1f)
TypeSmall organic molecule
Emp. Form.C18H21N5O3
Mol. Mass.355.391
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: