7N3M

Co-complex CYP46A1 with 0431 (compound 17)

This is a non-PDB format compatible entry.

Summary for 7N3M

• Entry DOI: 10.2210/pdb7n3m/pdb
• Related: 7N3L
• Descriptor: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, ... (4 entities in total)
• Functional Keywords: cyp46a1, ch24h, sbdd, drug discovery, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 55364.61

Authors

Lane, W.,Yano, J. (deposition date: 2021-06-01, release date: 2022-02-23, Last modification date: 2023-10-18)

• Primary citation: Kajita, Y.,Ikeda, S.,Yoshikawa, M.,Fukuda, H.,Watanabe, E.,Yano, J.,Lane, W.,Miyamoto, M.,Ishii, T.,Nishi, T.,Koike, T.; Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.; J.Med.Chem., 65:3343-3358, 2022; PubMed: 35166541; DOI: 10.1021/acs.jmedchem.1c01898

Experimental method

X-RAY DIFFRACTION (1.698 Å)