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TitleDiscovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 29, Page 1799-1806, Year 2019
Publish dateDec 3, 2018 (structure data deposition date)
AuthorsAmaudrut, J. / Argiriadi, M.A. / Barth, M. / Breinlinger, E.C. / Bressac, D. / Broqua, P. / Calderwood, D.J. / Chatar, M. / Cusack, K.P. / Gauld, S.B. ...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.
External linksBioorg. Med. Chem. Lett. / PubMed:31101472
MethodsX-ray diffraction
Resolution1.99 Å
Structure data

PDB-6q2w:
Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-HBW:
(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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / ROR gamma / inverse agonist / nuclear hormone receptor

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