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Target
Choline O-acetyltransferase
Ligand
BDBM50020522
Substrate
n/a
Meas. Tech.
ChEBML_27371
IC50
802700±n/a nM
Citation
 Bedford, CD; Harris, RN; Howd, RA; Goff, DA; Koolpe, GA; Petesch, M; Miller, A; Nolen, HW; Musallam, HA; Pick, RO Quaternary salts of 2-[(hydroxyimino)methyl]imidazole. 2. Preparation and in vitro and in vivo evaluation of 1-(alkoxymethyl)-2-[(hydroxyimino)methyl]-3-methylimida zolium halides for reactivation of organophosphorus-inhibited acetylcholinesterases. J Med Chem 32:493-503 (1989) [PubMed]  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:
BDBM50020522
Synonyms:
1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium chloride | 1-(2-hydroxyimino-methylpyridium)-3-(4-carboamidopyridinium)-2-oxapropane; dichloride(HI-6) | 1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxa-propane dichloride | 1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxapropane dichloride | 4-(aminocarbonyl)-1-({[1-chloro-2-[(E)-(hydroxyimino)methyl]pyridinium-1(2H)-yl]methoxy}methyl)pyridinium; chloride | 4-(aminocarbonyl)-1-({[1-chloro-2-[(E)-(hydroxyimino)methyl]pyridinium-1(2H)-yl]methoxy}methyl)pyridinium;chloride | 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride (HI-6) | 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride[HI-6] | 4-(aminocarbonyl)-1-[({2-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride | 4-carbamoyl-2-((E)-(hydroxyimino)methyl)-1-(((2-((E)-(hydroxyimino)methyl)pyridinium-1-yl)methoxy)methyl)pyridinium chloride | CHEMBL33051
Type:
Small organic molecule
Emp. Form.:
C14H16N4O3
Mol. Mass.:
288.3007
SMILES:
NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1
Structure:
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