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. Author manuscript; available in PMC: 2013 Jun 9.
Published in final edited form as: ChemMedChem. 2012 Apr 23;7(6):1071–1083. doi: 10.1002/cmdc.201200102

Figure 3.

Figure 3

a) Docking of lithocholic acid (LCA, green carbon atoms) in the high-affinity ephrin-binding pocket of the EphA2 receptor (white cartoons, gray carbon atoms). The G-H loop of ephrin-A1 is also displayed (red cartoons) b) EphA2-lithocholic acid complex as obtained at the end of the molecular dynamics simulation. Lithocholic acid (LCA) carbon atoms are in green, hydrogens in white, with the exception of those in position 7α and 12α, highlighted in pink. The alpha and beta faces of LCA are also highlighted. EphA2 carbon atoms are in gray, with white hydrogen atoms.