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TargetCholinesterase
LigandBDBM50333152
Substrate/Competitorn/a
Meas. Tech.ChEMBL_701319 (CHEMBL1648939)
IC50 7500±n/a nM
Citation Samadi, AValderas, Cde los Ríos, CBastida, AChioua, MGonzález-Lafuente, LColmena, IGandía, LRomero, ADel Barrio, LMartín-de-Saavedra, MDLópez, MGVillarroya, MMarco-Contelles, J Cholinergic and neuroprotective drugs for the treatment of Alzheimer and neuronal vascular diseases. II. Synthesis, biological assessment, and molecular modelling of new tacrine analogues from highly substituted 2-aminopyridine-3-carbonitriles. Bioorg Med Chem19:122-33 (2011) [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:
BDBM50333152
n/a
NameBDBM50333152
Synonyms:5-Amino-2-(dimethylamino)-4-phenyl-6,7,8,9-tetrahydrobenzo[1,8-b]-naphthyridine-3-carbonitrile | CHEMBL1644725
TypeSmall organic molecule
Emp. Form.C21H21N5
Mol. Mass.343.4249
SMILESCN(C)c1nc2nc3CCCCc3c(N)c2c(-c2ccccc2)c1C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: