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Target
Cholinesterase
Ligand
BDBM15579
Substrate
n/a
Meas. Tech.
ChEMBL_1620015 (CHEMBL3862298)
IC50
>500000±n/a nM
Citation
 Wu, MY; Esteban, G; Brogi, S; Shionoya, M; Wang, L; Campiani, G; Unzeta, M; Inokuchi, T; Butini, S; Marco-Contelles, J Donepezil-like multifunctional agents: Design, synthesis, molecular modeling and biological evaluation. Eur J Med Chem 121:864-879 (2016) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Homo sapiens (Human)
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM15579
Synonyms:
CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine | SLG | Selegiline | US8633208, Deprenyl | US9469653, Selegiline | methyl[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-ylamine
Type:
Small organic molecule
Emp. Form.:
C13H17N
Mol. Mass.:
187.2808
SMILES:
C[C@H](Cc1ccccc1)N(C)CC#C |r|
Structure:
Search PDB for entries with ligand similarity: