7LUK

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692) IN COMPLEX WITH AN AZATRICYCLIC RORGT INVERSE AGONIST

Summary for 7LUK

• Entry DOI: 10.2210/pdb7luk/pdb
• Descriptor: Nuclear receptor ROR-gamma, (2S)-N-[(6aS,7R,9aS)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5H-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide (3 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, ransferase-transferase inhibitor complex, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 33565.53

Authors

Sack, J.S. (deposition date: 2021-02-22, release date: 2021-05-12, Last modification date: 2023-10-18)

• Primary citation: Liu, Q.,Xiao, H.Y.,Batt, D.G.,Xiao, Z.,Zhu, Y.,Yang, M.G.,Li, N.,Yip, S.,Li, P.,Sun, D.,Wu, D.R.,Ruzanov, M.,Sack, J.S.,Weigelt, C.A.,Wang, J.,Li, S.,Shuster, D.J.,Xie, J.H.,Song, Y.,Sherry, T.,Obermeier, M.T.,Fura, A.,Stefanski, K.,Cornelius, G.,Chacko, S.,Khandelwal, P.,Dudhgaonkar, S.,Rudra, A.,Nagar, J.,Murali, V.,Govindarajan, A.,Denton, R.,Zhao, Q.,Meanwell, N.A.,Borzilleri, R.,Dhar, T.G.M.; Azatricyclic Inverse Agonists of ROR gamma t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis.; Acs Med.Chem.Lett., 12:827-835, 2021; PubMed: 34055233; DOI: 10.1021/acsmedchemlett.1c00112

Experimental method

X-RAY DIFFRACTION (2.087 Å)