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. 2020 Apr 10;63(8):4047–4068. doi: 10.1021/acs.jmedchem.9b02076

Figure 1.

Figure 1

Structure-guided merging of 5 (A, PDB code 6TOG) and 4 (B, PDB code 6TOF) yielded the more potent 6 (CCT365386) (C, PDB code 6TOH). The surface of the BCL6 dimer is shown as a grey transparent surface. The two individual monomers are highlighted in gray and cyan ribbons except for residues 53–55 which are indicated in blue. Key protein residues are shown in line representation. The compounds are shown as orange ball and sticks, a selected water molecule is shown as a red sphere, and H-bonds are shown as yellow dashed lines. In panel C the orange arrow indicates an exit vector towards a large accessible pocket close to our compounds. Additional images containing overlays of 4 and 5 with 6 are shown in the Supporting Information Figure S1.