A database derived from Protein Data Bank. The MTLD collects the ligands which may bind to multiple different targets that have been verified by 3D-structures. This database contains 1,732 multiple-target ligands (MTLs) which bind to 14,996 binding sites extracted from 12,759 PDB structures. It could be an extremely useful tool in the development of polypharmacological drugs. It also sheds light on the side effects of drugs through anticipation of their multiple functions and similarities in the binding sites of multiple targets.
North China Institute of Science and Technology, Beijing, China; Institute of Medicinal Biotechnology, Chinese Academy of Medical Science, Beijing, China; Lady Davis Institute for Medical Research, Jewish General Hospital, Montreal, QC, Canada
MTLD funding source(s)
This work was in part supported by the Nature Science Foundation of China (81311120299, 81271844) and Fundamental Research Funds for the Central Universities of China (3142014100).