7LRL

Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935))

Summary for 7LRL

• Entry DOI: 10.2210/pdb7lrl/pdb
• Descriptor: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone, ... (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: 55424.66

Authors

Lane, W.,Yano, J. (deposition date: 2021-02-16, release date: 2021-08-25, Last modification date: 2023-10-18)

• Primary citation: Koike, T.,Yoshikawa, M.,Ando, H.K.,Farnaby, W.,Nishi, T.,Watanabe, E.,Yano, J.,Miyamoto, M.,Kondo, S.,Ishii, T.,Kuroita, T.; Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H).; J.Med.Chem., 64:12228-12244, 2021; PubMed: 34387987; DOI: 10.1021/acs.jmedchem.1c00864

Experimental method

X-RAY DIFFRACTION (1.995 Å)