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Target
Cholinesterase
Ligand
BDBM50592314
Substrate
n/a
Meas. Tech.
ChEMBL_2203767 (CHEMBL5116475)
IC50
12000±n/a nM
Citation
 Moutayakine, A; Marques, C; López, Ó; Bagetta, D; Leitzbach, L; Hagenow, S; Carreiro, EP; Stark, H; Alcaro, S; Fernández-Bolaños, JG; Burke, AJ Evaluation of chromane derivatives: Promising privileged scaffolds for lead discovery within Alzheimer's disease. Bioorg Med Chem 68:0 (2022) [PubMed] 
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:
BDBM50592314
Synonyms:
CHEMBL5203069
Type:
Small organic molecule
Emp. Form.:
C12H14O3
Mol. Mass.:
206.2378
SMILES:
COc1cccc2OCC(C)(C)C(=O)c12
Structure:
Search PDB for entries with ligand similarity: