Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50060533
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4±0
Temperature
298.15±0 K
IC50
93.2±2.3 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:
BDBM50060533
Synonyms:
1,12-Bis(trimethyl ammonium)dodecane dibromide | 1,12-bis-(trimethyl ammonium) dodecane dibromide | CHEMBL119701 | Dodecamethonium | N,N,N,N',N',N'-Hexamethyl-1,12-dodecane diaminium dibromide | N,N,N,N',N',N'-Hexamethyldodecane-1,12-diammoniumdibromide | N1,N1,N1,N12,N12,N12-hexamethyldodecane-1,12-diaminium bromide | dodecane-1,12-bis(trimethylammonium bromide)
Type:
Small organic molecule
Emp. Form.:
C18H42N2
Mol. Mass.:
286.5384
SMILES:
C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: