Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM10501 |
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Substrate/Competitor | BDBM8959 |
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Meas. Tech. | Enzyme Inhibition Assay |
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pH | 7.8±n/a |
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Temperature | 295.15±n/a K |
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IC50 | 3.0±n/a nM |
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Citation | Doucet-Personeni, C; Bentley, PD; Fletcher, RJ; Kinkaid, A; Kryger, G; Pirard, B; Taylor, A; Taylor, R; Taylor, J; Viner, R; Silman, I; Sussman, JL; Greenblatt, HM; Lewis, T A structure-based design approach to the development of novel, reversible AChE inhibitors. J Med Chem44:3203-15 (2001) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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BDBM10501 |
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BDBM8959 |
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Name | BDBM10501 |
Synonyms: | 1-(3-{[(4-amino-2-methylquinolin-3-yl)methoxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one | 4-Amino-2-methyl-3-(3-trifluoroacetylbenzyloxymethyl)quinoline | Aminoquinoline 23c |
Type | Small organic molecule |
Emp. Form. | C20H17F3N2O2 |
Mol. Mass. | 374.3564 |
SMILES | Cc1nc2ccccc2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F |
Structure |
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