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. 2011 Aug 18;54(19):6761–6770. doi: 10.1021/jm200640v

Figure 2.

Figure 2

(A) The X-ray crystal structure of 2 (carbon = yellow, PDB ID, 3SVF) bound to human BRD4(1). The conserved N140 residue is highlighted in green. (B) 2Fo – Fc map at 2σ of the observed ligand 2. (C) Overlay of crystal structures of 2 (carbon = yellow) and (+)-JQ1 (carbon = orange, PDB ID: 3MXF) bound to human BRD4(1), showing that the ethylene glycol unit binds in the same region as the chlorophenyl moiety of (+)-JQ1. The images were generated and structure alignment conducted using PyMOL.