Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50149201 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_552464 (CHEMBL1002724) |
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Ki | 0.410±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 |
Synonyms: | ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache |
Type: | Enzyme |
Mol. Mass.: | 68165.65 |
Organism: | Mus musculus (mouse) |
Description: | n/a |
Residue: | 614 |
Sequence: | MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
IACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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BDBM50149201 |
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n/a |
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Name | BDBM50149201 |
Synonyms: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | 3,8-Diamino-6-phenyl-5-(6-{3-[2-(1,2,3,4-tetrahydro-acridin-9-ylamino)-ethyl]-3H-[1,2,3]triazol-4-yl}-hexyl)-phenanthridinium | CHEMBL117651 |
Type | Small organic molecule |
Emp. Form. | C42H45N8 |
Mol. Mass. | 661.8598 |
SMILES | Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21 |
Structure |
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