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. Author manuscript; available in PMC: 2013 Dec 21.
Published in final edited form as: ACS Chem Biol. 2012 Sep 14;7(12):1975–1983. doi: 10.1021/cb300392z

Figure 7. Visualization of the orthosteric, allosteric, and bitopic ligand interactions based upon the biochemistry, mutagenesis, homology modeling, and molecular dynamic simulations. Dual inhibition of SPM-242 is illustrated.

Figure 7

Figure 7

(A) S1P (green) and SPM-242 (cyan) overlap in the S1P3 binding pocket. (B) CYM-5541 (green) and SPM-242 (cyan) overlap in the S1P3 binding pocket.