Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholinesterase
LigandBDBM50052212
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1455651 (CHEMBL3365680)
IC50 1350±n/a nM
Citation Akrami, HMirjalili, BFKhoobi, MNadri, HMoradi, ASakhteman, AEmami, SForoumadi, AShafiee, A Indolinone-based acetylcholinesterase inhibitors: synthesis, biological activity and molecular modeling. Eur J Med Chem84:375-81 (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:
BDBM50052212
n/a
NameBDBM50052212
Synonyms:CHEMBL3318400
TypeSmall organic molecule
Emp. Form.C21H16BrClN2O
Mol. Mass.427.722
SMILES[Br-].Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: