Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM10624 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_552468 (CHEMBL999085) |
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Ki | 57±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_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor |
Type: | Enzyme |
Mol. Mass.: | 67659.62 |
Organism: | Bos taurus (bovine) |
Description: | n/a |
Residue: | 613 |
Sequence: | MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVS
AFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNR
ELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMN
YRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVG
MHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELV
ACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGV
VKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPED
PARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYE
IEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQY
VSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQ
FDHYSKQDRCSDL
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BDBM10624 |
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n/a |
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Name | BDBM10624 |
Synonyms: | 1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-one dibromide | 4-(5-{4-[dimethyl(prop-2-en-1-yl)aminiumyl]phenyl}-3-oxopentyl)-N,N-dimethyl-N-(prop-2-en-1-yl)anilinium dibromide | BW284c51 | CHEMBL140020 | CHEMBL464538 |
Type | Small organic molecule |
Emp. Form. | C27H38N2O |
Mol. Mass. | 406.6023 |
SMILES | C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 |
Structure |
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