Skip to main content
. Author manuscript; available in PMC: 2021 Mar 24.
Published in final edited form as: J Med Chem. 2020 Apr 22;63(10):5242–5256. doi: 10.1021/acs.jmedchem.0c00035

Figure 3.

Figure 3.

(A) Crystal structure of 45 (in yellow) in cocomplex with human BRD4 BD1 (PDB code: 6UWU) in representation of the electrostatic potential surface. (B) Critical interactions of 45 with BRD4 BD1. Residues Asn140, Tyr97, and Pro82 are highlighted in light blue and hydrogen bonds are colored in red. (C) Zoomed in details around the chiral −OH. Residues Asn93 and Leu92 are highlighted in light blue. (D) Overlay analysis of 3 (in light blue, PDB code: 4MR4) and 45 (in yellow) in cocomplex with human BRD4 BD1 in ribbon representation.