| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM50292569 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_552464 (CHEMBL1002724) |
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| Ki | 1300±n/a nM |
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| Citation |  Butini, S; Campiani, G; Borriello, M; Gemma, S; Panico, A; Persico, M; Catalanotti, B; Ros, S; Brindisi, M; Agnusdei, M; Fiorini, I; Nacci, V; Novellino, E; Belinskaya, T; Saxena, A; Fattorusso, C Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. J Med Chem51:3154-70 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache |
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| Type: | Enzyme |
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| Mol. Mass.: | 68165.65 |
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| Organism: | Mus musculus (mouse) |
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| Description: | n/a |
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| Residue: | 614 |
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| Sequence: | MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
IACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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| BDBM50292569 |
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| n/a |
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| Name | BDBM50292569 |
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| Synonyms: | 2-[(1Z)-(hydroxyimino)methyl]-1-(7-{2-[(1E)-(hydroxyimino)methyl]pyridin-1-ium-1-yl}heptyl)pyridin-1-ium dichloride | CHEMBL524365 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H26N4O2 |
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| Mol. Mass. | 342.4342 |
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| SMILES | O=NCc1cccc[n+]1CCCCCCC[n+]1ccccc1CN=O |
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| Structure | 
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