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TargetCholinesterase
LigandBDBM50018675
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1362454 (CHEMBL3292810)
IC50 12800±n/a nM
Citation Wang, LEsteban, GOjima, MBautista-Aguilera, OMInokuchi, TMoraleda, IIriepa, ISamadi, AYoudim, MBRomero, ASoriano, EHerrero, RFernández Fernández, APRicardo-Martínez-Murillo, naMarco-Contelles, JUnzeta, M Donepezil + propargylamine + 8-hydroxyquinoline hybrids as new multifunctional metal-chelators, ChE and MAO inhibitors for the potential treatment of Alzheimer's disease. Eur J Med Chem80:543-61 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:Enzyme
Mol. Mass.:65643.35
Organism:Equus caballus (Horse)
Description:P81908
Residue:574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50018675
n/a
NameBDBM50018675
Synonyms:CHEMBL3291016
TypeSmall organic molecule
Emp. Form.C26H29N3O
Mol. Mass.399.528
SMILESOc1ccc(CN(CC#C)CC2CCN(Cc3ccccc3)CC2)c2cccnc12
Structure
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