Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM10489 |
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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 | 12±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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BDBM10489 |
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BDBM8959 |
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Name | BDBM10489 |
Synonyms: | 1-(5-{[(1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)amino]methyl}thien-2-yl)-2,2,2-trifluoroethanone | 1-{5-[({1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-yl}amino)methyl]thiophen-2-yl}-2,2,2-trifluoroethan-1-one | N-Alkylated Tacrine Analogue 4 |
Type | Small organic molecule |
Emp. Form. | C21H18ClF3N2OS |
Mol. Mass. | 438.894 |
SMILES | FC(F)(F)C(=O)c1ccc(CNc2c3CCCCCc3nc3cccc(Cl)c23)s1 |
Structure |
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