Target
Cholinesterase
Ligand
BDBM50515459
Substrate
n/a
Meas. Tech.
ChEMBL_1861127 (CHEMBL4361983)
Ki
4.6±n/a nM
Citation
 Roldán-Peña, JMRomero-Real, VHicke, JMaya, IFranconetti, ALagunes, IPadrón, JMPetralla, SPoeta, ENaldi, MBartolini, MMonti, BBolognesi, MLLópez, ÓFernández-Bolaños, JG Tacrine-O-protected phenolics heterodimers as multitarget-directed ligands against Alzheimer's disease: Selective subnanomolar BuChE inhibitors. Eur J Med Chem 181:0 (2019) [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:
BDBM50515459
Synonyms:
CHEMBL4545701
Type:
Small organic molecule
Emp. Form.:
C40H44N2O3
Mol. Mass.:
600.789
SMILES:
C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: