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Structure paper

TitleDiscovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 2991-2997, Year 2015
Publish dateApr 29, 2015 (structure data deposition date)
AuthorsChao, J. / Enyedy, I. / Van Vloten, K. / Marcotte, D. / Guertin, K. / Hutchings, R. / Powell, N. / Jones, H. / Bohnert, T. / Peng, C.C. ...Chao, J. / Enyedy, I. / Van Vloten, K. / Marcotte, D. / Guertin, K. / Hutchings, R. / Powell, N. / Jones, H. / Bohnert, T. / Peng, C.C. / Silvian, L. / Hong, V.S. / Little, K. / Banerjee, D. / Peng, L. / Taveras, A. / Viney, J.L. / Fontenot, J.
External linksBioorg. Med. Chem. Lett. / PubMed:26048806
MethodsX-ray diffraction
Resolution2.5 - 2.702 Å
Structure data

PDB-4zjr:
RORgamma in complex with inverse agonist 48
Method: X-RAY DIFFRACTION / Resolution: 2.702 Å

PDB-4zjw:
RORgamma in complex with inverse agonist 16
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-4P3:
6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-4P1:
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / RORgamma ligand binding domain / Inverse agonist / Inverse Agonist 16 / Biogen

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