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Reaction Details
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TargetAcetylcholinesterase
LigandBDBM10501
Substrate/CompetitorBDBM8959
Meas. Tech.Enzyme Inhibition Assay
pH7.8±n/a
Temperature295.15±n/a K
IC50 3.0±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 Chem44:3203-15 (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 | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10501
BDBM8959
NameBDBM10501
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
TypeSmall organic molecule
Emp. Form.C20H17F3N2O2
Mol. Mass.374.3564
SMILESCc1nc2ccccc2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
Structure
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