Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50149212 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_29228 (CHEMBL641394) |
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IC50 | 0.4±n/a nM |
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Citation | Erlanson, DA; McDowell, RS; O'Brien, T Fragment-based drug discovery. J Med Chem47:3463-82 (2004) [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_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
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BDBM50149212 |
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n/a |
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Name | BDBM50149212 |
Synonyms: | CHEMBL117521 | N-(1,2,3,4,8a,10a-Hexahydro-acridin-9-yl)-N'-(1,2,3,4-tetrahydro-acridin-9-yl)-heptane-1,7-diamine |
Type | Small organic molecule |
Emp. Form. | C33H42N4 |
Mol. Mass. | 494.7134 |
SMILES | C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12 |c:5,12,15,t:18| |
Structure |
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