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TitleDiscovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 3343-3358, Year 2022
Publish dateJun 1, 2021 (structure data deposition date)
AuthorsKajita, Y. / Ikeda, S. / Yoshikawa, M. / Fukuda, H. / Watanabe, E. / Yano, J. / Lane, W. / Miyamoto, M. / Ishii, T. / Nishi, T. / Koike, T.
External linksJ. Med. Chem. / PubMed:35166541
MethodsX-ray diffraction
Resolution1.631 - 1.698 Å
Structure data

PDB-7n3l:
Co-complex CYP46A1 with 0420 (compound 6)
Method: X-RAY DIFFRACTION / Resolution: 1.631 Å

PDB-7n3m:
Co-complex CYP46A1 with 0431 (compound 17)
Method: X-RAY DIFFRACTION / Resolution: 1.698 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-04Y:
N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-05D:
N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / cyp46a1 / ch24h / sbdd / drug discovery / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / HYDROLASE

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