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TargetCholinesterase
LigandBDBM50342605
Substrate/Competitorn/a
Meas. Tech.ChEMBL_744974 (CHEMBL1771989)
IC50 84200±n/a nM
Citation Bolognesi, MLBartolini, MTarozzi, AMorroni, FLizzi, FMilelli, AMinarini, ARosini, MHrelia, PAndrisano, VMelchiorre, C Multitargeted drugs discovery: balancing anti-amyloid and anticholinesterase capacity in a single chemical entity. Bioorg Med Chem Lett21:2655-8 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:Homotetramer
Mol. Mass.:68422.27
Organism:Homo sapiens (Human)
Description:P06276
Residue:602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50342605
n/a
NameBDBM50342605
Synonyms:2,5-bis(6-(benzofuran-2-ylmethylamino)hexylamino)cyclohexa-2,5-diene-1,4-dione | CHEMBL1770551
TypeSmall organic molecule
Emp. Form.C36H44N4O4
Mol. Mass.596.759
SMILESOc1cc(N=CCCCCCNCc2cc3ccccc3o2)c(O)cc1NCCCCCCNCc1cc2ccccc2o1 |w:4.3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: