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; PubMed: 32530624; DOI: 10.1021/acs.jmedchem.0c00233

Experimental method

X-RAY DIFFRACTION (2.77 Å)