Figure 6
Figure 6. Redocking of compound C11-10 in the FVIII C2 domain. Shown are the ribbon diagrams and the side chains of the C2 domain of human FVIII (in magenta) in the area of the binding pocket. Compound C11-10 is in a stick representation and the 2 most likely positions as obtained after extensive docking and scoring are displayed. Other poses were obtained (>40) but were rejected when they could not make favorable hydrogen bonds and/or hydrophobic/aromatic contacts with the proteins or when the ligand had very high internal strain energy.

Redocking of compoundC11-10 in the FVIII C2 domain. Shown are the ribbon diagrams and the side chains of the C2 domain of human FVIII (in magenta) in the area of the binding pocket. Compound C11-10 is in a stick representation and the 2 most likely positions as obtained after extensive docking and scoring are displayed. Other poses were obtained (>40) but were rejected when they could not make favorable hydrogen bonds and/or hydrophobic/aromatic contacts with the proteins or when the ligand had very high internal strain energy.

Close Modal

or Create an Account

Close Modal
Close Modal