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TargetAcetylcholinesterase
LigandBDBM50304325
Substrate/Competitorn/a
Meas. Tech.ChEMBL_606473
IC50 0.0446±n/a nM
Citation Yan, JSun, LWu, GYi, PYang, FZhou, LZhang, XLi, ZYang, XLuo, HQiu, M Rational design and synthesis of highly potent anti-acetylcholinesterase activity huperzine A derivatives. Bioorg Med Chem17:6937-41 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms: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:
BDBM50304325
NameBDBM50304325
Synonyms:1-{[1-(2,4-Dimethoxy-phenyl)-methylidene]-amino}-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one | CHEMBL593933
TypeSmall organic molecule
Emp. Form.C24H26N2O3
Mol. Mass.390.4748
SMILESCOc1ccc(\C=N\[C@@]23CC(C)=C[C@@H](Cc4[nH]c(=O)ccc24)\C3=C/C)c(OC)c1 |r,c:11,TLB:16:15:22:10.9.12,11:10:22:15.21.14,THB:20:21:22:10.9.12|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a