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TargetCholine Acetyltransferase
LigandBDBM8960
Substrate/Competitorn/a
Meas. Tech.ChEBML_27372
IC50 5.3±n/a nM
Citation Cardozo, MGIimura, YSugimoto, HYamanishi, YHopfinger, AJ QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase. J Med Chem35:584-9 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Choline Acetyltransferase
Name:Choline acetylase
Synonyms:Choline O-acetyltransferase
Type:Enzyme Catalytic Domain
Mol. Mass.:71875.58
Organism:RAT
Description:Choline Acetyltransferase 0 RAT::P32738
Residue:640
Sequence:
MPILEKAPQKMPVKASSWEELDLPKLPVPPLQQTLATYLQCMQHLVPEEQFRKSQAIVKR
FGAPGGLGETLQEKLLERQEKTANWVSEYWLNDMYLNNRLALPVNSSPAVIFARQHFQDT
NDQLRFAACLISGVLSYKTLLDSHSLPTDWAKGQLSGQPLCMKQYYRLFSSYRLPGHTQD
TLVAQKSSIMPEPEHVIVACCNQFFVLDVVINFRRLSEGDLFTQLRKIVKMASNEDERLP
PIGLLTSDGRSEWAKARTVLLKDSTNRDSLDMIERCICLVCLDGPGTGELSDTHRALQLL
HGGGCSLNGANRWYDKSLQFVVGRDGTCGVVCEHSPFDGIVLVQCTEHLLKHMMTSNKKL
VRADSVSELPAPRRLRLKCSPETQGHLASSAEKLQRIVKNLDFIVYKFDNYGKTFIKKQK
YSPDGFIQVALQLAYYRLYQRLVPTYESASIRRFQEGRVDNIRSATPEALAFVQAMTDHK
AAMPASEKLQLLQTAMQAHKQYTVMAITGMAIDNHLLALRELARDLCKEPPEMFMDETYL
MSNRFVLSTSQVPTTMEMFCCYGPVVPNGNGACYNPQPEAITFCISSFHSCKETSSVEFA
EAVGASLVDMRDLCSSRQPADSKPPAPKEKARGPSQAKQS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8960
NameBDBM8960
Synonyms:(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one | Aricept | Aricept odt | CHEMBL1678 | CHEMBL2337271 | CHEMBL502 | DONEPEZIL HYDROCHLORIDE | Donepezil | Donepzil | E2020 | US8999994, Donepezil | US9346818, DPH | US9586925, Donepezil | US9663465, Donepezil
TypeSmall organic molecule
Emp. Form.C24H29NO3
Mol. Mass.379.492
SMILESCOc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a