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TitleDesign and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists.
Journal, issue, pagesChemmedchem, Year 2019
Publish dateSep 20, 2017 (structure data deposition date)
AuthorsSato, A. / Fukase, Y. / Kono, M. / Ochida, A. / Oda, T. / Sasaki, Y. / Ishii, N. / Tomata, Y. / Fukumoto, S. / Imai, Y.N. ...Sato, A. / Fukase, Y. / Kono, M. / Ochida, A. / Oda, T. / Sasaki, Y. / Ishii, N. / Tomata, Y. / Fukumoto, S. / Imai, Y.N. / Uga, K. / Shibata, A. / Yamasaki, M. / Nakagawa, H. / Shirasaki, M. / Skene, R. / Hoffman, I. / Sang, B.C. / Snell, G. / Shirai, J. / Yamamoto, S.
External linksChemmedchem / PubMed:31659845
MethodsX-ray diffraction
Resolution2.48 Å
Structure data

PDB-6b33:
Structure of RORgt in complex with a novel inverse agonist 3
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

Chemicals

ChemComp-CF7:
(2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordssignaling protein/antagonist / Complex / inverse agonist / Nuclear Hormone Receptor / signaling protein-antagonist complex

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