Reaction Details  Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50587756
Substrate
n/a
Meas. Tech.
ChEMBL_2185049 (CHEMBL5097131)
IC50
2.6±n/a nM
Citation
 Singh, YP; Rai, H; Singh, G; Singh, GK; Mishra, S; Kumar, S; Srikrishna, S; Modi, G A review on ferulic acid and analogs based scaffolds for the management of Alzheimer's disease. Eur J Med Chem 215:0 (2021) [PubMed]  Article
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50587756
Synonyms:
CHEMBL5206601
Type:
Small organic molecule
Emp. Form.:
C23H22BrFN2O3
Mol. Mass.:
473.335
SMILES:
[Br-].COc1ccc(\C=C\C(=O)Nc2cc[n+](Cc3ccc(F)cc3)cc2)cc1OC
Structure:
Search PDB for entries with ligand similarity: