Bioactive Small Molecules

Compound 2, Compound 3

Compound 3 (click to show)

Compound 3 (click to hide)

Title:

Structure-Based Discovery of Novel Chemotypes for Adenosine A2A Receptor Antagonists

Reference:

Journal of Medicinal Chemistry 2010 Feb 25;53(4):1799-809.

Authors:

Vsevolod Katritch, Veli-Pekka Jaakola, J. Robert Lane, Judy Lin, Adriaan P. IJzerman, Mark Yeager, Irina Kufareva, Raymond C. Stevens, Ruben Abagyan

Compounds:

Compound 2 (theophylline) (5126190), Compound 3 (5787474), Compound 17 (5633157), Compound 50 (5630383), Compound 8 (7983589)

Compound 2 (click to show)

Compound 2 (click to hide)

Title:

Structure-Based Discovery of A2A Adenosine Receptor Ligands

Reference:

Journal of Medicinal Chemistry 2010 May 13;53(9):3748-55.

Authors:

Jens Carlsson, Lena Yoo, Zhan-Guo Gao, John J. Irwin, Brian K. Shoichet, Kenneth A. Jacobson

Compounds:

Compound 2 (5787474), Compound 4 (5216007), Compound 9 {Not in our database}, Compound 11 (9155710)