| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM10439 |
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| Substrate/Competitor | BDBM8959 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 7±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 151±36 nM |
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| Citation |  Wong, DM; Greenblatt, HM; Dvir, H; Carlier, PR; Han, YF; Pang, YP; Silman, I; Sussman, JL Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity. J Am Chem Soc125:363-73 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache |
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| Type: | Enzyme |
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| Mol. Mass.: | 68193.62 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | P37136 |
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| Residue: | 614 |
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| Sequence: | MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
ISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
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| BDBM10439 |
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| BDBM8959 |
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| Name | BDBM10439 |
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| Synonyms: | (5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquinolin-5-yl]amino}decyl)amino]-1,2,5,6,7,8-hexahydroquinolin-2-one | (S,S)-(-)-bis(10)-hupyridone |
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| Type | Small organic molecule |
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| Emp. Form. | C28H42N4O2 |
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| Mol. Mass. | 466.6587 |
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| SMILES | O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r| |
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| Structure | 
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