Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50026220 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_27805 (CHEMBL636515) |
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IC50 | 3010000±n/a nM |
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Citation | Cho, SJ; Garsia, ML; Bier, J; Tropsha, A Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors. J Med Chem39:5064-71 (1997) [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: | 3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache |
Type: | n/a |
Mol. Mass.: | 65900.74 |
Organism: | Tetronarce californica (Pacific electric ray) (Torpedo californica) |
Description: | P04058 |
Residue: | 586 |
Sequence: | MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
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BDBM50026220 |
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n/a |
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Name | BDBM50026220 |
Synonyms: | 2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL282468 | CHEMBL293410 | CHEMBL920 | N-trimethylethanolamine | OXTRIPHYLLINE | choline | trimethylethanolamine |
Type | Small organic molecule |
Emp. Form. | C5H14NO |
Mol. Mass. | 104.1702 |
SMILES | C[N+](C)(C)CCO |
Structure |
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