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TitleDiscovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 1898-1903, Year 2012
Publish dateDec 7, 2011 (structure data deposition date)
AuthorsCongreve, M. / Andrews, S.P. / Dore, A.S. / Hollenstein, K. / Hurrell, E. / Langmead, C.J. / Mason, J.S. / Ng, I.W. / Tehan, B. / Zhukov, A. ...Congreve, M. / Andrews, S.P. / Dore, A.S. / Hollenstein, K. / Hurrell, E. / Langmead, C.J. / Mason, J.S. / Ng, I.W. / Tehan, B. / Zhukov, A. / Weir, M. / Marshall, F.H.
External linksJ. Med. Chem. / PubMed:22220592
MethodsX-ray diffraction
Resolution3.273 - 3.341 Å
Structure data

PDB-3uza:
Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
Method: X-RAY DIFFRACTION / Resolution: 3.273 Å

PDB-3uzc:
Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
Method: X-RAY DIFFRACTION / Resolution: 3.341 Å

Chemicals

ChemComp-T4G:
6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine

ChemComp-T4E:
4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / 7TM / GPCR / G-PROTEIN / MEMBRANE PROTEIN

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