Azole drug docking to CYP450

This page presents results of a large scale docking experiment: 9 drugs were docked to 11 CYP450 proteins. Each square represents a single combination, for which 10 000 models were computed and subjected to hierarchical clustering. Up to 5 biggest clusters are provided for each protein-drug combination, represented as circles. Area of a circle is proportional to the cluster size while color scale depicts closest distance between a drug molecule and FE atom in haeme ring.