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Structure paper

TitleDiscovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Journal, issue, pagesActa Pharmacol. Sin., Year 2024
Publish dateMay 7, 2022 (structure data deposition date)
AuthorsWu, X.S. / Luo, X.Y. / Li, C.C. / Zhao, X.F. / Zhang, C. / Chen, X.S. / Lu, Z.F. / Wu, T. / Yu, H.N. / Peng, C. ...Wu, X.S. / Luo, X.Y. / Li, C.C. / Zhao, X.F. / Zhang, C. / Chen, X.S. / Lu, Z.F. / Wu, T. / Yu, H.N. / Peng, C. / Hu, Q.Q. / Shen, H. / Xu, Y. / Zhang, Y.
External linksActa Pharmacol. Sin. / PubMed:38698214
MethodsX-ray diffraction
Resolution2.57 Å
Structure data

PDB-7xqe:
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

Chemicals

ChemComp-H4I:
2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide

ChemComp-GOL:
GLYCEROL

ChemComp-EOH:
ETHANOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsDNA BINDING PROTEIN / ROR gamma / LBD / Inhibitor

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