Skip to main content
. 2023 Sep 5;66(17):12203–12224. doi: 10.1021/acs.jmedchem.3c00795

Figure 4.

Figure 4

WaterMap hydration sites in the substrate binding pocket of FXIa (PDB code 8BO5). Sites are color- and size-coded with regard to the modeled hydration free energy (high ΔG, reddish; low ΔG greenish). The depicted compound in green is the basic framework of the lead series; the white arrows show the possibilities for substitutions to increase interactions with FXIa.