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. 2017 Dec 18;22(12):2254. doi: 10.3390/molecules22122254

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© 2017 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 (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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The docked conformation of 1 to the binding site of CLR-RAMP3 using ChemPLP. (A) A hydrogen bond (HB) is depicted as green dotted line between ligand and the amino acid Arg38. Tyr52 and Trp84 are in lipophilic contact (LC) with the ligand shown with dashed purple lines; (B) 1 is shown in the binding pocket with the protein surface rendered and seems to fit in the cleft between CRL and RAMP3. Purple represents hydrogen bond donor regions, and green depicts hydrogen bond acceptor regions.