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. 2021 Mar 19;22(6):3158. doi: 10.3390/ijms22063158

Figure 8.

Figure 8

Analysis of GW0742 and GSK3787 docked into PPARβ/δ + GSK3787. A second molecule of GW0742 (A,B) or GSK3787 (C,D) was docked into the LBD of PPARβ/δ containing one molecule of GSK3787. (A) Representation of how one molecule of GSK3787 first and then one molecule of GW0742 bind into the PPARβ/δ binding pocket at same time. (B) Detail of the amino acids interacting with the second molecule of GW0742. (C) Representation of how two molecules of GSK3787 bind into the PPARβ/δ binding pocket at same time. (D) Detail of the amino acids interacting with the second molecule of GSK3787. Colour coding of atoms: red O, blue N, mustard S, white F, grey C PPARβ/δ and GSK3787 that binds first within the binding pocket, green C of GW0742 that binds second into the binding pocket, yellow C of GSK3787 that binds second into the binding pocket.