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Target
Cholinesterase
Ligand
BDBM50570556
Substrate
n/a
Meas. Tech.
ChEMBL_2112553 (CHEMBL4821403)
IC50
122±n/a nM
Citation
 Makhaeva, GF; Lushchekina, SV; Boltneva, NP; Serebryakova, OG; Kovaleva, NV; Rudakova, EV; Elkina, NA; Shchegolkov, EV; Burgart, YV; Stupina, TS; Terentiev, AA; Radchenko, EV; Palyulin, VA; Saloutin, VI; Bachurin, SO; Richardson, RJ Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold. Eur J Med Chem 218:0 (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:
BDBM50570556
Synonyms:
CHEMBL4847987
Type:
Small organic molecule
Emp. Form.:
C15H15F3N2O5
Mol. Mass.:
360.2852
SMILES:
CCOC(=O)C(=N/Nc1ccccc1C(=O)OCC)\C(=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: