6XZ9
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
Summary for 6XZ9
Entry DOI | 10.2210/pdb6xz9/pdb |
Related | 6XZ8 |
Descriptor | Cytochrome P450 11B2, mitochondrial, HEME C, 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, ... (4 entities in total) |
Functional Keywords | cytochrome p450, cyp11b2, aldosterone synthase, oxidoreductase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 3 |
Total formula weight | 171937.82 |
Authors | Kuglstatter, A.,Joseph, C.,Benz, J. (deposition date: 2020-02-03, release date: 2020-06-24, Last modification date: 2020-07-22) |
Primary citation | Liu, Y.,Wu, J.,Zhou, M.,Chen, W.,Li, D.,Wang, Z.,Hornsperger, B.,Aebi, J.D.,Marki, H.P.,Kuhn, B.,Wang, L.,Kuglstatter, A.,Benz, J.,Muller, S.,Hochstrasser, R.,Ottaviani, G.,Xin, J.,Kirchner, S.,Mohr, S.,Verry, P.,Riboulet, W.,Shen, H.C.,Mayweg, A.V.,Amrein, K.,Tan, X. Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63:6876-6897, 2020 Cited by PubMed: 32530624DOI: 10.1021/acs.jmedchem.0c00233 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.77 Å) |
Structure validation
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