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TargetAcetylcholinesterase
LigandBDBM91585
Substrate/Competitorn/a
Meas. Tech.Enzyme Inhibition Assay
pH7.4±0
IC50 1.50e+3± 3.0e+2 nM
Citation Omran ZStiebing SGodard AMSopkova-De Oliveira-Santos JDallemagne P Synthesis and biological evaluation of new donepezil-like Thiaindanones as AChE inhibitors. J Enzyme Inhib Med Chem 23:696-703 (2008) [PubMed]  Article
More Info.:Get all data from this article,   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:
BDBM91585
n/a
NameBDBM91585
Synonyms:Thiaindanone, 14
TypeSmall organic molecule
Emp. Form.C20H22Br2FN5OS
Mol. Mass.559.293
SMILESNN=C1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12 |w:1.0|
Structure
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