| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM10491 |
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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 | 14±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 |
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| Synonyms: | 3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache |
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| Type: | n/a |
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| Mol. Mass.: | 65900.74 |
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| Organism: | Tetronarce californica (Pacific electric ray) (Torpedo californica) |
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| Description: | P04058 |
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| Residue: | 586 |
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| Sequence: | MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
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| BDBM10491 |
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| BDBM8959 |
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| Name | BDBM10491 |
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| Synonyms: | 1,1,1-trifluoro-7-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)heptane-2,2-diol | 7-{6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-ylamino}-1,1,1-trifluoroheptane-2,2-diol | N-Alkylated Tacrine Analogue 6b |
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| Type | Small organic molecule |
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| Emp. Form. | C21H27F3N2O2 |
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| Mol. Mass. | 396.4465 |
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| SMILES | OC(O)(CCCCCNc1c2CCCCCc2nc2ccccc12)C(F)(F)F |
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| Structure | 
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