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TitleIdentification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 721-736, Year 2018
Publish dateSep 20, 2017 (structure data deposition date)
AuthorsFukase, Y. / Sato, A. / Tomata, Y. / Ochida, A. / Kono, M. / Yonemori, K. / Koga, K. / Okui, T. / Yamasaki, M. / Fujitani, Y. ...Fukase, Y. / Sato, A. / Tomata, Y. / Ochida, A. / Kono, M. / Yonemori, K. / Koga, K. / Okui, T. / Yamasaki, M. / Fujitani, Y. / Nakagawa, H. / Koyama, R. / Nakayama, M. / Skene, R. / Sang, B.C. / Hoffman, I. / Shirai, J. / Yamamoto, S.
External linksBioorg. Med. Chem. / PubMed:29342416
MethodsX-ray diffraction
Resolution3.18 Å
Structure data

PDB-6b31:
Structure of RORgt in complex with a novel inverse agonist 2
Method: X-RAY DIFFRACTION / Resolution: 3.18 Å

Chemicals

ChemComp-CFJ:
(3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide

ChemComp-HOH:
WATER

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

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