5HCV

Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists

Summary for 5HCV

• Entry DOI: 10.2210/pdb5hcv/pdb
• Descriptor: Mineralocorticoid receptor, 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: mineralocorticoid receptor, ligand-binding domain, mr-lbd, antagonists, co-crystal, signaling protein
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P08235
• Total number of polymer chains: 3
• Total formula weight: 90776.36

Authors

Chen, G.,McKeever, B.M. (deposition date: 2016-01-04, release date: 2016-03-09, Last modification date: 2023-09-27)

• Primary citation: Lotesta, S.D.,Marcus, A.P.,Zheng, Y.,Leftheris, K.,Noto, P.B.,Meng, S.,Kandpal, G.,Chen, G.,Zhou, J.,McKeever, B.,Bukhtiyarov, Y.,Zhao, Y.,Lala, D.S.,Singh, S.B.,McGeehan, G.M.; Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.; Bioorg.Med.Chem., 24:1384-1391, 2016; PubMed: 26897089; DOI: 10.1016/j.bmc.2016.02.014

Experimental method

X-RAY DIFFRACTION (2.5 Å)