3uzc

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

Structural highlights

3uzc is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 3.341Å
Ligands:T4E
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

AA2AR_HUMAN Receptor for adenosine. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase.

Publication Abstract from PubMed

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.

Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design.,Congreve M, Andrews SP, Dore AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH J Med Chem. 2012 Mar 8;55(5):1898-903. Epub 2012 Jan 27. PMID:22220592[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations
49 reviews cite this structure
Molecular signatures of G-protein-coupled receptors.
Venkatakrishnan et al. (2013)
48 more
78 other articles
No citations found

See Also

References

  1. ↑ Congreve M, Andrews SP, Dore AS, Hollenstein K, Hurrell E, Langmead CJ, Mason JS, Ng IW, Tehan B, Zhukov A, Weir M, Marshall FH. Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design. J Med Chem. 2012 Mar 8;55(5):1898-903. Epub 2012 Jan 27. PMID:22220592 doi:10.1021/jm201376w

Contents


PDB ID 3uzc

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OCA

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