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TargetAcetylcholinesterase
LigandBDBM50398924
Substrate/Competitorn/a
Meas. Tech.ChEMBL_874797 (CHEMBL2188841)
IC50 1.03±n/a nM
Citation Simoni, EDaniele, SBottegoni, GPizzirani, DTrincavelli, MLGoldoni, LTarozzo, GReggiani, AMartini, CPiomelli, DMelchiorre, CRosini, MCavalli, A Combining galantamine and memantine in multitargeted, new chemical entities potentially useful in Alzheimer's disease. J Med Chem55:9708-21 (2012) [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:
BDBM50398924
n/a
NameBDBM50398924
Synonyms:CHEMBL2178788
TypeSmall organic molecule
Emp. Form.C35H52N2O3
Mol. Mass.548.799
SMILESCOc1ccc2CN(CCCCCCN(C)C34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,TLB:25:23:27:18.17.19,25:18:27:23.26.22,THB:24:23:27:18.17.19,17:16:22:18.25.19,17:18:16.26.27:22,14:16:22:18.25.19|
Structure
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