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. Author manuscript; available in PMC: 2016 Jun 10.
Published in final edited form as: J Med Chem. 2015 Aug 4;58(15):5863–5888. doi: 10.1021/acs.jmedchem.5b00423

Figure 5.

Figure 5

(A) Overlay of minimized bound conformations of RBP4 nicotinic acid antagonist 54 (yellow) and 3 (A1120, green) within 3fmz. (B) Expanded view of the anthranilic acid and nicotinic acid fragments of 3 (green) and analogue 54 (yellow). Both moieties are shown engaging in H-bond interactions with Arg121, Gln98, and Tyr90. H-bond interactions to 54 are indicated with blue lines. Residues making contact with ligands are labeled and illustrated in stick format. The molecular surface is colored by hydrophobicity (green) and hydrophilicity (purple) using contact preferences (MOE, Chemical Computing Group, Inc., Montreal, CA).