Fig. 6

RPV and compound 11 in the NNRTI binding pocket. RPV (maroon) and compound 11 (green) are shown bound in the HIV-1 RT NNRTI binding pocket; 11 was docked onto the RPV crystal structure. The residues shown in blue are important contacts for the binding of RPV and denote residues where mutations are selected by the drug. The residues shown in orange are important for the interaction of DOR with the NNRTI binding pocket; DOR selects for mutations at these positions. The red dashes represent hydrogen bonds between K101 and 11 and RPV and the hydrogen bond network between with water and E138 and 11 and RPV. The purple circle denotes the difference in the cyanovinyl binding depth between 11 and RPV, and the red circle shows the difference in the benzonitrile binding depth between 11 and RPV