Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetButyrylcholinesterase (BuChE)
LigandBDBM10620
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1558460
IC50 38420±n/a nM
Citation Pejchal V?tepánková ?Pejchalová MKrálovec KHavelek RRu?icková ZAjani HLo RLep?ík M Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors. Bioorg Med Chem 24:1560-72 (2016) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Butyrylcholinesterase (BuChE)
Name:Cholinesterase
Synonyms: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:
BDBM10620
n/a
NameBDBM10620
Synonyms:(S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | 3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl N-methyl carbamate | 3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate | CHEMBL636 | ENA-713 | Ethyl-methyl-carbamic acid 3-((R)-1-dimethylamino-ethyl)-phenyl ester | Ethyl-methyl-carbamic acid 3-((S)-1-dimethylamino-ethyl)-phenyl ester | Ethyl-methyl-carbamic acid 3-(1-dimethylamino-ethyl)-phenyl ester | Exelon | RIVASTIGMINE | Rivastigmine | Rivastigmine (1) | SDZ-212-713 | SDZ-ENA-713
TypeSmall organic molecule
Emp. Form.C14H22N2O2
Mol. Mass.250.3367
SMILES[H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: