Fig. 8

Comparison of the CP-376395 antagonist binding site of the CRFR1 crystal structure (dark blue), the homology model generated with MODELLER (grey), the homology model refined with Broker (blue-to-red color scheme with the ligand shown in orange). A few selected residues of the homology model refined with Broker were shown as green sticks. Those residues were selected to be flexible during the Autodock VINA docking. The starting side chain conformations of those residues (before docking) were shown with the wire representation while the resulting conformation (after docking) was shown with sticks. The polar contacts between the antagonist and the receptor were depicted with yellow dashed lines