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TargetAcetylcholinesterase
LigandBDBM9426
Substrate/CompetitorBDBM8959
Meas. Tech.Enzyme Inhibition Assay
pH7.4±n/a
Temperature310.15±n/a K
IC50 89.4±6.2 nM
Citation Carlier, PRChow, ESHan, YLiu, JEl Yazal, JPang, YP Heterodimeric tacrine-based acetylcholinesterase inhibitors: investigating ligand-peripheral site interactions. J Med Chem42:4225-31 (1999) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  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:
BDBM9426
BDBM8959
NameBDBM9426
Synonyms:CHEMBL258928 | Heterodimeric Tacrine-Based Inhibitor 5g | N-(8-aminooctyl)-1,2,3,4-tetrahydroacridin-9-amine dihydrochloride | N-9-(1,2,3,4-Tetrahydroacridinyl)-1,8-diamino-octane Bis-hydrochloride
TypeSmall organic molecule
Emp. Form.C21H31N3
Mol. Mass.325.4909
SMILESNCCCCCCCCNc1c2CCCCc2nc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: