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TargetAcetylcholinesterase
LigandBDBM8961
Substrate/Competitorn/a
Meas. Tech.ChEMBL_552463 (CHEMBL1002723)
Ki 40±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:
BDBM8961
n/a
NameBDBM8961
Synonyms:1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrahydroacridin-9-amine | 9-THA | 9-amino-1,2,3,4-tetrahydroacridine (THA) | CHEMBL1337960 | CHEMBL95 | Cognex | Tacrine | Tracine | US8999994, Tacrine | cid_1935 | tacrine.HCl
TypeSmall organic molecule
Emp. Form.C13H14N2
Mol. Mass.198.2637
SMILESNc1c2CCCCc2nc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: