70649-89-7Relevant academic research and scientific papers
Limiting the Number of Potential Binding Modes by Introducing Symmetry into Ligands: Structure-Based Design of Inhibitors for Trypsin-Like Serine Proteases
Furtmann, Norbert,H?u?ler, Daniela,Scheidt, Tamara,Stirnberg, Marit,Steinmetzer, Torsten,Bajorath, Jürgen,Gütschow, Michael
, p. 610 - 625 (2016)
In the absence of X-ray data, the exploration of compound binding modes continues to be a challenging task. For structure-based design, specific features of active sites in different targets play a major role in rationalizing ligand binding characteristic
