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. Author manuscript; available in PMC: 2018 Dec 11.
Published in final edited form as: Nat Chem Biol. 2018 Jun 11;14(7):706–714. doi: 10.1038/s41589-018-0055-y

Figure 5. In silico docking to design degrader molecules.

Figure 5

(a) Cartoon representations for representative clusters obtained by k-means clustering of the top 200 global docking poses between CRBN (pdb: 4tz4) and BRD4BD1 (pdb: 3mxf). (b) Histogram of the pairwise shortest distances for the top 200 docking poses. (c) Close-up view on the proximity of the JQ1 thiophene and lenalidomide that provided the rationale for synthesizing ZXH-2-147 and ZXH-3-26. Atoms used for calculation of the pairwise shortest distances between JQ1 and lenalidomide are highlighted in black circles.