Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetButyrylcholinesterase (BChE)
LigandBDBM50324054
Substrate/Competitorn/a
Meas. Tech.ChEMBL_649486
IC50>100000±n/a nM
Citation Samadi AMarco-Contelles JSoriano EAlvarez-Pérez MChioua MRomero AGonzález-Lafuente LGandía LRoda JMLópez MGVillarroya MGarcía AGRíos Cde L Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles. Bioorg Med Chem 18:5861-72 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Butyrylcholinesterase (BChE)
Name:Butyrylcholinesterase
Synonyms:BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:Protein
Mol. Mass.:68842.83
Organism:Equus caballus (Horse)
Description:Q9N1N9
Residue:602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50324054
n/a
NameBDBM50324054
Synonyms:2-Amino-6-propargylamine-pyridine-3,5-dicarbonitrile | CHEMBL1214955
TypeSmall organic molecule
Emp. Form.C10H7N5
Mol. Mass.197.1961
SMILESNc1nc(NCC#C)c(cc1C#N)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: