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Target
Choline O-acetyltransferase
Ligand
BDBM50280246
Substrate
n/a
Meas. Tech.
ChEMBL_49105 (CHEMBL665956)
IC50
58000±n/a nM
Citation
 Alcalde, E; Roca, T; Barat, A; Ramirez, G; Goya, P; Martinez, A (E)-1-alkyl-[2-(1H-azol-2-yl)vinyl]pyridinium salts: theoretical analysis, synthesis and evaluation of their interaction with choline acetyltransferase. Bioorg Med Chem Lett 2:1493-1496 (1992)    Article 
Target
Name:
Choline O-acetyltransferase
Synonyms:
CHAT | CLAT_CHICK | Choline acetylase
Type:
PROTEIN
Mol. Mass.:
72625.66
Organism:
Gallus gallus
Description:
ChEMBL_49105
Residue:
640
Sequence:
MPDLEKDMQKKEKDSRSKDEPAVPKLPVPPLQQTLQMYLQCMKHLVPEEQFRKTKSIVEQFGVAGGLGESLQLILEERREETTNWVFNYWLDDMYLNNRLALPVNSSPAIIFARQNFKDVNDQLRFAANLISGVQDYKALLDSHALPVDFARGQLSGQPLCMKQYYGLFSSYRLPGHTKDTLVAQKSCVMPEPEHIIVACNNQLFVLDVGINFRRLSEGDLFTQLRKIAKMAENEEEMLPPIGLLTTDGRTEWAEARTILMKDSTNRDSLDMIERCICLVCLDGTSGVELNDTNMALQLLHGGGYHKNGANRWYDKPMQFVVGRDGVCGTVCEHSPFDGIVLVQCTEHLLKHMKESSKKLLRADSVSELPAPRRLRWKCSPEIQAHLASSAEKLQRIVKNLDFIAYKFVNYGKEFIKKQKTSPDAYIQVALQLAFYRCHRRLVPTYESASIRRFDEGRVDNIRSATAEAFAFVKAMIDDKPALSDSEKMQRFKDAIAAQTNYTILAITGMAIDNHLLGLREVAREHFKELPEIFTDETYLTSNRFILSTSQVPTPMEMFCCYGPVVPNGYGACYNPQPEHILFCISSFKDCKETSSDMLAKAVEESLLEIRDLCNKCSSSTAKSLAKQEEATQLRSDRKL
  
Inhibitor
Name:
BDBM50280246
Synonyms:
4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridinium; bromide | 4-(2-Naphthalen-1-yl-vinyl)-1-propyl-pyridinium; bromide | CHEMBL19537
Type:
Small organic molecule
Emp. Form.:
C20H20N
Mol. Mass.:
274.379
SMILES:
CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: