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

Figure 7.

Figure 7

Analysis of GW0742 and GSK3787 docked into PPARβ/δ + GW0742. A second molecule of GW0742 (A,B) or GSK3787 (C,D) was docked into the LBD of PPARβ/δ containing one molecule of GW0742. (A) Representation of how two GW0742 molecules 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 one molecule of GW0742 first and then one molecule 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, cyan C, PPARβ/δ and GW0742 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.