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. Author manuscript; available in PMC: 2019 Jan 1.
Published in final edited form as: Bioorg Med Chem. 2017 Nov 4;26(1):25–36. doi: 10.1016/j.bmc.2017.10.042

Figure 2. Potential water-mediated interactions with 2- and 3-substituted THQ analogs.

Figure 2

Docked pose of 9–14 in BRD2-BD1 (A) and BRD2-BD2 (B). W5 and W6 waters are highlighted in orange. Water molecules present in the ZA channel but distal to the V4 residue (Q101/K374) are highlighted in purple. Compound 4 (yellow sticks) is shown for reference.