7JTM

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST

Summary for 7JTM

Entry DOI	10.2210/pdb7jtm/pdb
Descriptor	Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid (3 entities in total)
Functional Keywords	rorgt, nuclear hormone receptor, ligand-binding domain, inve agonist, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	33565.51
Authors	Sack, J.S. (deposition date: 2020-08-18, release date: 2020-09-16, Last modification date: 2023-10-18)
Primary citation	Shi, Q.,Xiao, Z.,Yang, M.G.,Marcoux, D.,Cherney, R.J.,Yip, S.,Li, P.,Wu, D.R.,Weigelt, C.A.,Sack, J.,Khan, J.,Ruzanov, M.,Wang, J.,Yarde, M.,Ellen Cvijic, M.,Li, S.,Shuster, D.J.,Xie, J.,Sherry, T.,Obermeier, M.,Fura, A.,Stefanski, K.,Cornelius, G.,Chacko, S.,Shu, Y.Z.,Khandelwal, P.,Hynes Jr., J.,Tino, J.A.,Salter-Cid, L.,Denton, R.,Zhao, Q.,Dhar, T.G.M. Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30:127521-127521, 2020 Cited by PubMed: 32882417 DOI: 10.1016/j.bmcl.2020.127521 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.43 Å)

Structure validation