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TargetAcetylcholinesterase
LigandBDBM10491
Substrate/CompetitorBDBM8959
Meas. Tech.Enzyme Inhibition Assay
pH7.8±n/a
Temperature295.15±n/a K
IC50 14±n/a nM
Citation Doucet-Personeni CBentley PDFletcher RJKinkaid AKryger GPirard BTaylor ATaylor RTaylor JViner RSilman ISussman JLGreenblatt HMLewis T A structure-based design approach to the development of novel, reversible AChE inhibitors. J Med Chem 44:3203-15 (2001) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:3.1.1.7 | AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
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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  Blast E-value cutoff:
BDBM10491
BDBM8959
NameBDBM10491
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
TypeSmall organic molecule
Emp. Form.C21H27F3N2O2
Mol. Mass.396.4465
SMILESOC(O)(CCCCCNc1c2CCCCCc2nc2ccccc12)C(F)(F)F
Structure
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