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. 2013 Dec 8;57(2):462–476. doi: 10.1021/jm401568s

Figure 6.

Figure 6

(A) Compound 51 (green stick) in complex with BRD4(1) (PDB ID: 4NQM, blue ribbon and stick, top loop removed for clarity in first image) shows H-bonds (dashed lines) between the triazole moiety, the conserved asparagine (N140), and a pocket water (red sphere). The anionic sulfonamide forms an additional hydrogen bond to tryptophan (W81). (B) In complex with BRD9 (PDB ID: 4NQN, yellow ribbon and stick (the ZA loop was removed for clarity in first image)), compound 51 forms H-bonds to N100 and water but acts as an H-bond acceptor via a sulfonamide oxygen to Y106. The electron density map from the X-ray refinement is shown as a dark-blue mesh around the ligand.