Fig. 1

Modeling of DZD1516 with HER2 (PDB code: 3RCD). Key interactions of DZD1516 with HER2 protein include (i) H-bonding of quinazoline with hinge (Met801); (ii) piperidine occupied the ribose-binding pocket; (iii) [1, 2, 4]triazolo[1,5-a]pyridin-7-yloxy scaffold near the gatekeeper back pocket for HER2 selectivity. Yellow: carbon; purple: nitrogen; red: oxygen; light blue: fluorine. Colors on the protein surface represent the ATP binding pocket and are for clarity only