Identification and analysis of the currently available high-confidence three-dimensional activity cliffs
Norbert Furtmann, Ye Hu, Michael Gütschow, Jürgen Bajorath · RSC Advances · 2015
Shown is an exemplary 3D-cliff formed by two crystallographic ligands with highly similar binding modes and a significant difference in potency. The site of a major interaction difference between these compounds is encircled.