7LS3

Co-complex CYP46A1 with 8114 (3f)

Summary for 7LS3

• Entry DOI: 10.2210/pdb7ls3/pdb
• Related: 7LRL
• Descriptor: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-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: 55437.70

Authors

Lane, W.,Yano, J. (deposition date: 2021-02-17, 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 (2.15 Å)