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 | |
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 Cited by PubMed: 34387987DOI: 10.1021/acs.jmedchem.1c00864 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.995 Å) |
Structure validation
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