Figure 8.

Docked complex of compound 1 with STAT3. (A) The surface representation of STAT3 showing deep penetration of compound 1 into the SH2 domain of STAT3 (pdb id: 1BG1), generated by DS (Accelrys). (B) Docked conformation of compound 1 in the SH2 domain of STAT3 (pdb id: 1BG1), viewed by DS (Accelrys). Carbon atoms of compound 1 (in sticks format) are colored green. The interacting amino acids of the SH2 domain of STAT3 are colored in red. All other amino acids of STAT3 are depicted in violet (flat ribbon format). Hydrogen bonds are shown in green, electrostatic interactions in black, and hydrophobic interactions are shown as magenta dotted lines.