6Q2W

Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist

Summary for 6Q2W

• Entry DOI: 10.2210/pdb6q2w/pdb
• Descriptor: Nuclear receptor ROR-gamma, (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide (3 entities in total)
• Functional Keywords: ror gamma, inverse agonist, nuclear hormone receptor, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 52972.80

Authors

Ciesielski, F.,Amaudrut, J.,Argiriadi, M.A.,Barth, M.,Breinlinger, E.C.,Calderwood, D.J.,Cusack, K.P.,Kort, M.E.,Montalbetti, C.,Potin, D.,Poupardin, O.,Spitzer, L. (deposition date: 2018-12-03, release date: 2019-05-29, Last modification date: 2024-01-24)

• Primary citation: Amaudrut, J.,Argiriadi, M.A.,Barth, M.,Breinlinger, E.C.,Bressac, D.,Broqua, P.,Calderwood, D.J.,Chatar, M.,Cusack, K.P.,Gauld, S.B.,Jacquet, S.,Kamath, R.V.,Kort, M.E.,Lepais, V.,Luccarini, J.M.,Masson, P.,Montalbetti, C.,Mounier, L.,Potin, D.,Poupardin, O.,Rouaud, S.,Spitzer, L.,Wallace, C.D.; Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.; Bioorg.Med.Chem.Lett., 29:1799-1806, 2019; PubMed: 31101472; DOI: 10.1016/j.bmcl.2019.05.015

Experimental method

X-RAY DIFFRACTION (1.99 Å)