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TargetAcetylcholinesterase
LigandBDBM50199524
Substrate/Competitorn/a
Meas. Tech.ChEMBL_441060 (CHEMBL890218)
pH5±n/a
IC50 11.8±n/a nM
Commentsextracted
Citation He, XCFeng, SWang, ZFShi, YZheng, SXia, YJiang, HTang, XCBai, D Study on dual-site inhibitors of acetylcholinesterase: Highly potent derivatives of bis- and bifunctional huperzine B. Bioorg Med Chem15:1394-408 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache
Type:Enzyme
Mol. Mass.:68193.62
Organism:Rattus norvegicus (rat)
Description:P37136
Residue:614
Sequence:
MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
ISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50199524
n/a
NameBDBM50199524
Synonyms:CHEMBL241856 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,15-didehydrolycodinocarbonyl)ethyl]-1,10-decanediamine
TypeSmall organic molecule
Emp. Form.C50H72N6O4
Mol. Mass.821.1445
SMILESCN(CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:38,65,TLB:35:34:22:24.25.31,THB:53:54:45:56.59.57,49:48:45:56.59.57|
Structure
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