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. Author manuscript; available in PMC: 2018 Oct 10.
Published in final edited form as: J Chem Inf Model. 2018 Jan 31;58(2):464–471. doi: 10.1021/acs.jcim.7b00399

Figure 3.

Figure 3

a. Structures of compound 10 and switch-II inhibitor 11. b. Percentages represent adduct formation to K-Ras constructs with 25uM compound over 24h, 25°C. Sos-catalyzed exchange of apo and compound-labeled K-RasG12C GDP with c. BODIPY-FL GDP and d. BODIPY-FL GTP and fluorescence intensity was monitored over time. e. Co-crystal structure of 10 (blue) and K-RasG12C GDP (grey; PDB: 6ARK). f. Fo-Fc omit map (grey mesh, 2.0σ) of 10. g. Cartoon representation of p-loop (slate), Cys12, and 10 (blue) with indicated residues that make hydrophobic contacts with 10 in nearby symmetry mate (white).