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TargetAcetylcholinesterase
LigandBDBM50398925
Substrate/Competitorn/a
Meas. Tech.ChEMBL_874797
IC50 2.32±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 and butyrylcholinesterase (AChE and BChE)
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE
Type:Enzyme
Mol. Mass.:68193.62
Organism:Rattus norvegicus (rat)
Description:Enzyme was prepared from rat cortex homogenate.
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:
BDBM50398925
NameBDBM50398925
Synonyms:CHEMBL2178787
TypeSmall organic molecule
Emp. Form.C37H56N2O3
Mol. Mass.576.8521
SMILESCOc1ccc2CN(CCCCCCCCCNC34CC5CC(C)(CC(C)(C5)C3)C4)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,TLB:27:25:29:20.19.21,27:20:29:25.28.24,17:18:24:20.27.21,THB:19:18:24:20.27.21,19:20:18.28.29:24,26:25:29:20.19.21|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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