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TargetAcetylcholinesterase
LigandBDBM10503
Substrate/CompetitorBDBM8959
Meas. Tech.Enzyme Inhibition Assay
pH7.8±n/a
Temperature295.15±n/a K
IC50 3±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:
BDBM10503
BDBM8959
NameBDBM10503
Synonyms:1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethan-1-one | 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline | Aminoquinoline 27
TypeSmall organic molecule
Emp. Form.C20H16F4N2OS
Mol. Mass.408.412
SMILESCc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F
Structure
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