This database contains over 15,000 compounds expected to PPI inhibitions. These library compounds were selected from a virtual compound library (K-Library developed by the Kishida Chemical Co. Ltd., ~8M compounds). We conducted docking calculation against the virtual library on PDB structures of known PPI targets. Then, we selected and synthesized about 100 compounds from each target. Furthermore, our PPI library also includes novel scaffolds and non-flat 3D shapes (sphere-like structures). Thus, our PPI library is useful for small and medium-sized drug discovery.
This database has been developed by Keio University and PeptiDream Inc. During this development, NIBIOHN supports and advises this project. This work was supported by AMED (Japan Agency for Medical Research and Development) grant.