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TitleHigh ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Journal, issue, pagesEur. J. Med. Chem., Vol. 241, Page 114620-114620, Year 2022
Publish dateJul 26, 2022 (structure data deposition date)
AuthorsBolteau, R. / Duroux, R. / Laversin, A. / Vreulz, B. / Shiriaeva, A. / Stauch, B. / Han, G.W. / Cherezov, V. / Renault, N. / Barczyk, A. ...Bolteau, R. / Duroux, R. / Laversin, A. / Vreulz, B. / Shiriaeva, A. / Stauch, B. / Han, G.W. / Cherezov, V. / Renault, N. / Barczyk, A. / Ravez, S. / Coevoet, M. / Melnyk, P. / Liberelle, M. / Yous, S.
External linksEur. J. Med. Chem. / PubMed:35933788
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-8du3:
Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-TKO:
(4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine

ChemComp-CLR:
CHOLESTEROL

ChemComp-OLC:
(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

ChemComp-OLA:
OLEIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / GPCR / LCP / Antagonists / Alzheimer / Parkinson

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