3UZA

Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine

Summary for 3UZA

• Entry DOI: 10.2210/pdb3uza/pdb
• Related: 3PWH 3REY 3RFM 3UZC
• Descriptor: Adenosine receptor A2a, 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine (2 entities in total)
• Functional Keywords: 7tm, gpcr, signaling protein, g-protein, membrane protein
• Biological source: Homo sapiens (human)
• Cellular location: Cell membrane; Multi-pass membrane protein: P29274
• Total number of polymer chains: 1
• Total formula weight: 36756.43

Authors

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. (deposition date: 2011-12-07, release date: 2012-03-21, Last modification date: 2024-10-30)

Primary citation

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.
Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55:1898-1903, 2012

PubMed Abstract: Potent, ligand efficient, selective, and orally efficacious 1,2,4-triazine derivatives have been identified using structure based drug design approaches as antagonists of the adenosine A(2A) receptor. The X-ray crystal structures of compounds 4e and 4g bound to the GPCR illustrate that the molecules bind deeply inside the orthosteric binding cavity. In vivo pharmacokinetic and efficacy data for compound 4k are presented, demonstrating the potential of this series of compounds for the treatment of Parkinson's disease.

PubMed: 22220592
DOI: 10.1021/jm201376w

Experimental method

X-RAY DIFFRACTION (3.273 Å)