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TargetAcetylcholinesterase
LigandBDBM50022772
Substrate/Competitorn/a
Meas. Tech.ChEMBL_552463
Kd 70000±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 Chem 51:3154-70 (2008) [PubMed]  Article
More Info.:Get all data from this article,  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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50022772
n/a
NameBDBM50022772
Synonyms:CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Diisopropyl fluorophosphonate | Diisopropyl phosphofluoridate | Diisopropyl phosphorofluoridate | Diisopropylfluorophosphate | Diisopropylfluorophosphoric acid ester | Diisopropylphosphorofluoridate | Fluorodiisopropyl phosphate | ISOFLUROPHATE | Isofluorphate | Isoflurophosphate | Isopropyl fluophosphate | Isopropyl phosphorofluoridate | Neoglaucit | O,O'-Diisopropyl phosphoryl fluoride | bis(propan-2-yl) fluorophosphate | diisopropyl fluorophosphate
TypeSmall organic molecule
Emp. Form.C6H14FO3P
Mol. Mass.184.1457
SMILESCC(C)OP(F)(=O)OC(C)C
Structure
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