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TitleDesign and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Journal, issue, pagesEur. J. Med. Chem., Vol. 240, Page 114612-, Year 2022
Publish dateJun 8, 2021 (structure data deposition date)
AuthorsIkeda, S. / Kajita, Y. / Miyamoto, M. / Matsumiya, K. / Ishii, T. / Nishi, T. / Gay, S.C. / Lane, W. / Constantinescu, C.C. / Alagille, D. ...Ikeda, S. / Kajita, Y. / Miyamoto, M. / Matsumiya, K. / Ishii, T. / Nishi, T. / Gay, S.C. / Lane, W. / Constantinescu, C.C. / Alagille, D. / Papin, C. / Tamagnan, G. / Kuroita, T. / Koike, T.
External linksEur. J. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-7n6f:
Co-complex CYP46A1 with compound 3f
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-0I1:
(3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / cyp46a1 / ch24h / sbdd / drug discovery

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