Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50119793
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4±0
Temperature
298.15±0 K
IC50
16.0±1.3 nM
Citation
 Bunyapaiboonsri, T; Ramström, O; Lohmann, S; Lehn, JM; Peng, L; Goeldner, M Dynamic deconvolution of a pre-equilibrated dynamic combinatorial library of acetylcholinesterase inhibitors. Chembiochem 2:438-44 (2001) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_TORMA | Acetylcholinesterase (AChE) | ache
Type:
Enzyme
Mol. Mass.:
66739.82
Organism:
Torpedo marmorata (Marbled electric ray)
Description:
P07692
Residue:
590
Sequence:
MREMNLLVTSSLGVLLHLVVLCQADDDSELLVNTKSGKVMRTRIPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFPGSEMWNPNREMSEDCLYLNIWVPSPRPKSATVMLWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNMGLLDQRMALQWVHDNIQFFGGDPKTVTLFGESAGRASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELRRNLNCNLNSDEDLIQCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNAGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPIKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIFY
  
Inhibitor
Name:
BDBM50119793
Synonyms:
1,1'-(dodecane-1,12-diyl)dipyridinium bromide | 1,12-Bis(pyridinium)dodecane | 1,12-bis(pyridinium)-dodecane dibromide | 1,12-bis(pyridinium)dodecane dibromide | 1,12-di(1-pyridiniumyl)dodecane; with dibromide ions | CHEMBL102757
Type:
Small organic molecule
Emp. Form.:
C22H34N2
Mol. Mass.:
326.5177
SMILES:
C(CCCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1
Structure:
Search PDB for entries with ligand similarity: