7OFI

Ligand complex of RORg LBD

Summary for 7OFI

• Entry DOI: 10.2210/pdb7ofi/pdb
• Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2, (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, ... (6 entities in total)
• Functional Keywords: nuclear hormone receptor autoimmunity small molecule inhibitor inverse agonist ligand binding domain, signaling protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 33552.32

Authors

Xue, Y.,Aagaard, A.,Narjes, F. (deposition date: 2021-05-05, release date: 2022-03-16, Last modification date: 2024-01-31)

• Primary citation: Narjes, F.,Llinas, A.,von Berg, S.,Jirholt, J.,Lever, S.,Pehrson, R.,Collins, M.,Malmberg, A.,Svanberg, P.,Xue, Y.,Olsson, R.I.,Malmberg, J.,Hughes, G.,Hossain, N.,Grindebacke, H.,Leffler, A.,Krutrok, N.,Back, E.,Ramnegard, M.,Lepisto, M.,Thunberg, L.,Aagaard, A.,McPheat, J.,Hansson, E.L.,Chen, R.,Xiong, Y.,Hansson, T.G.; AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.; J.Med.Chem., 64:13807-13829, 2021; PubMed: 34464130; DOI: 10.1021/acs.jmedchem.1c01197

Experimental method

X-RAY DIFFRACTION (1.953 Å)