5LWP

Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists

Summary for 5LWP

Entry DOI	10.2210/pdb5lwp/pdb
Descriptor	Nuclear receptor ROR-gamma, 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid (3 entities in total)
Functional Keywords	ror gamma allosteric ligand inverse agonistm, transcription
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : P51449
Total number of polymer chains	1
Total formula weight	28993.94
Authors	Ouvry, G.,Bouix-Peter, C.,Ciesielski, F.,Chantalat, L.,Christin, O.,Comino, C.,Duvert, D.,Feret, C.,Harris, C.S.,Luzy, A.-P.,Musicki, B.,Orfila, D.,Pascau, J.,Parnet, V.,Perrin, A.,Pierre, R.,Raffin, C.,Rival, Y.,Taquet, N.,Thoreau, E.,Hennequin, L.F. (deposition date: 2016-09-19, release date: 2016-11-16, Last modification date: 2024-01-17)
Primary citation	Ouvry, G.,Bouix-Peter, C.,Ciesielski, F.,Chantalat, L.,Christin, O.,Comino, C.,Duvert, D.,Feret, C.,Harris, C.S.,Lamy, L.,Luzy, A.P.,Musicki, B.,Orfila, D.,Pascau, J.,Parnet, V.,Perrin, A.,Pierre, R.,Polge, G.,Raffin, C.,Rival, Y.,Taquet, N.,Thoreau, E.,Hennequin, L.F. Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 26:5802-5808, 2016 Cited by PubMed: 27815118 DOI: 10.1016/j.bmcl.2016.10.023 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation