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. 2016 Mar 15;7(5):531–536. doi: 10.1021/acsmedchemlett.6b00075

Figure 2.

Figure 2

Cocrystal structures of benzodiazepinones bound to the CBP bromodomain. (A) Compound 12 (1.4 Å resolution). The 7-benzyloxy side chain is oriented toward solvent and adopts a favorable conformation that positions the phenyl group into the cleft between Pro1110 and Arg1173. PDB code: 5I83. (B) Compound 14 (1.1 Å resolution). A substituent at the 6-position is proximal to the LPF shelf and still provides a vector to the Pro/Arg cleft. PDB code: 5I86. (C) Compound 23 (2.3 Å resolution). The substituted phenyl side chain fills space over Pro1110 and positions its benzyloxy group into the Pro/Arg cleft. PDB code: 5I8B. (D) Compound 27 (1.1 Å resolution). Indazoles orient 3-position substituents into the cleft between Pro1110 and Arg1173. PDB code: 5I89.