Fig. 7: In silico assessment of Rasarfin interactions with Ras.
From: Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen
a 2D structure of Rasarfin labeled with established pharmacophoric features interacting with Ras residues. AR1-2 aromatic feature, H1-H4 hydrophobic feature, HBA1-2 hydrogen bond-acceptor, HBD hydrogen bond donor, XBD halogen bond donor. b Stick representation of Rasarfin embedded in the binding pocket of Ras (transparent gray) with interacting Ras residues labeled. Yellow spheres correspond to H1-H4; green arrow shows HBD of Rasarfin interacting with Ile55 backbone carbonyl. c Plot of interaction frequencies between residues of Ras (x-axis) and the pharmacophoric features of Rasarfin (y-axis). Color coding according to interaction frequency.
