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. 2014 Apr 25;15(5):7225–7249. doi: 10.3390/ijms15057225

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© 2014 by the authors; licensee MDPI, Basel, Switzerland

This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).

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Figure 2. — (A) HipHop1 model generated by HipHop module of Catalyst in DS 2.5 Package; Mapping of (B) 4OHT (4-hydroxy-tamoxifen) (1), the most-active compound (IC₅₀ = 2 nM); and (C) Mapping of all conformations of FevA into HipHop1 model; (D) the best conformation of FevA, aligned into HipHop1 model. These features are color coded with hydrogen bond donor (HBD) in magenta, hydrogen bond acceptor (HBA) in green, hydrophobic feature (Hy) in blue and ring aromatic (RA) in orange.