Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50582509
Substrate
n/a
Meas. Tech.
ChEMBL_2154762 (CHEMBL5039422)
IC50
108±n/a nM
Citation
 Li, Q; Chen, Y; Xing, S; Liao, Q; Xiong, B; Wang, Y; Lu, W; He, S; Feng, F; Liu, W; Chen, Y; Sun, H Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection. J Med Chem 64:6856-6876 (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:
BDBM50582509
Synonyms:
CHEMBL5081114
Type:
Small organic molecule
Emp. Form.:
C23H20N6O2
Mol. Mass.:
412.4439
SMILES:
Cc1cc2nc(-c3nonc3N)n(CC(=O)Nc3cccc4ccccc34)c2cc1C
Structure:
Search PDB for entries with ligand similarity: