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Target
Choline O-acetyltransferase
Ligand
BDBM50280246
Substrate
n/a
Meas. Tech.
ChEBML_49118
IC50
30000±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:
CLAT_RAT | Chat | Choline Acetyltransferase | Choline O-acetyltransferase | Choline acetylase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
71875.58
Organism:
RAT
Description:
Choline Acetyltransferase 0 RAT::P32738
Residue:
640
Sequence:
MPILEKAPQKMPVKASSWEELDLPKLPVPPLQQTLATYLQCMQHLVPEEQFRKSQAIVKRFGAPGGLGETLQEKLLERQEKTANWVSEYWLNDMYLNNRLALPVNSSPAVIFARQHFQDTNDQLRFAACLISGVLSYKTLLDSHSLPTDWAKGQLSGQPLCMKQYYRLFSSYRLPGHTQDTLVAQKSSIMPEPEHVIVACCNQFFVLDVVINFRRLSEGDLFTQLRKIVKMASNEDERLPPIGLLTSDGRSEWAKARTVLLKDSTNRDSLDMIERCICLVCLDGPGTGELSDTHRALQLLHGGGCSLNGANRWYDKSLQFVVGRDGTCGVVCEHSPFDGIVLVQCTEHLLKHMMTSNKKLVRADSVSELPAPRRLRLKCSPETQGHLASSAEKLQRIVKNLDFIVYKFDNYGKTFIKKQKYSPDGFIQVALQLAYYRLYQRLVPTYESASIRRFQEGRVDNIRSATPEALAFVQAMTDHKAAMPASEKLQLLQTAMQAHKQYTVMAITGMAIDNHLLALRELARDLCKEPPEMFMDETYLMSNRFVLSTSQVPTTMEMFCCYGPVVPNGNGACYNPQPEAITFCISSFHSCKETSSVEFAEAVGASLVDMRDLCSSRQPADSKPPAPKEKARGPSQAKQS
  
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: