7N6F

Co-complex CYP46A1 with compound 3f

Summary for 7N6F

• Entry DOI: 10.2210/pdb7n6f/pdb
• Descriptor: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, ... (6 entities in total)
• Functional Keywords: cyp46a1, ch24h, sbdd, drug discovery, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 56026.24

Authors

Lane, W.,Gay, S.C. (deposition date: 2021-06-08, release date: 2022-07-27, Last modification date: 2023-10-18)

• Primary citation: 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.; Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H); Eur.J.Med.Chem., 240:114612-, 2022; DOI: 10.1016/j.ejmech.2022.114612

Experimental method

X-RAY DIFFRACTION (1.4 Å)