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. 2022 Oct 13;44(10):4838–4858. doi: 10.3390/cimb44100329

Figure 4.

Figure 4

Three-dimensional interactions of the selected ligands with the protein complex. In our interactions, (A) ZINC4104882, (B) ZINC2509501, (C) ZINC2566088 and (D) ZINC1615112, and all showed better contact with the Brd4 protein. All four compounds were selected depending on the docking scores. The key amino acids in our interaction were LEU92, PRO82, GLN85, ASN140, and VAL87, and they were predominant in all the compound interactions.