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TargetAcetylcholinesterase
LigandBDBM31904
Substrate/Competitorn/a
Meas. Tech.ChEMBL_552463 (CHEMBL1002723)
Ki 3700±n/a nM
Citation Butini, SCampiani, GBorriello, MGemma, SPanico, APersico, MCatalanotti, BRos, SBrindisi, MAgnusdei, MFiorini, INacci, VNovellino, EBelinskaya, TSaxena, AFattorusso, C Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. J Med Chem51:3154-70 (2008) [PubMed]  Article
More Info.:Get all data from this article,  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:
BDBM31904
n/a
NameBDBM31904
Synonyms:CHEMBL345124 | Propidium | Propidium Iodide, 2 | propidium iodide
TypeSmall organic molecule
Emp. Form.C27H34N4
Mol. Mass.414.5846
SMILESCC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Structure
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