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Docking study of compound 1 binding to gp120. (A) CD4 is shown in ribbon (yellow). gp120 is shown in solid surfaces. The antibody 17b is shown in stick representation (grey and magenta). Docking of compound 1 onto the crystal structure. (B) Close up of the region where compound 1 docks onto gp120. Shown in ribbons: gp120 (blue), CD4 (yellow). The negatively charged polar residues of the antibody 17b (grey and magenta ribbons) contacting gp120 are shown as red sticks.
