Etrumadenant has been developed as a dual-acting adenosine A2A/A2B receptor antagonist, and is now in clinical trials for the treatment of cancer, however, the exact drug–receptor binding mode is unknown. Here, the authors determine the high-resolution co-crystal structure of Etrumadenant with a thermostabilized A2AAR construct and reveal the interaction of its cyano group with T883.36.
- Tobias Claff
- Jonathan G. Schlegel
- Christa E. Müller
