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Structure paper

TitleDiscovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1892-1895, Year 2015
Publish dateMar 7, 2015 (structure data deposition date)
AuthorsMuegge, I. / Collin, D. / Cook, B. / Hill-Drzewi, M. / Horan, J. / Kugler, S. / Labadia, M. / Li, X. / Smith, L. / Zhang, Y.
External linksBioorg. Med. Chem. Lett. / PubMed:25840886
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-4ymq:
X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-ZBD:
4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsNUCLEAR HORMONE RECEPTOR / RORGT / BENZOTHIADIAZOLE DIOXIDE / INVERSE AGONIST

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