INTRODUCTION

D3Similarity was developed with two purposes based on the two-dimensional and three-dimensional similarity of molecular structure, one is for predicting target proteins for active compounds observed from experimental studies, and another is for virtual screening via 2D and 3D similarity evaluation. To this end, we developed a database composed of the bioactive molecules with known targets or/and well-explored mechanism related to the whole process of coronavirus infection, replication and release. “TargetPrediction” is for predicting target proteins, while “VirtualScreening” is for virtual screening against target proteins based on the 2D or 3D similarity evaluation.

download sdf file for all anti-coronavirus compounds, including activity, virus type information and reference