Fig. 5.

A) Docking pose of compound 13 (C atom; pink) within the X-ray crystallographic structure of the human DHFR in complex with the inhibitor I (C atom; yellow); B) Docking pose of compound 25 (C atom; tan) within the X-ray crystallographic structure of the human DHFR in complex with the inhibitor I (C atom; yellow). The most important residues are labelled and coloured by atom type. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)