About DrugProNET...

DrugProNET is an open-access, knowledgebase developed by Kinexus Bioinformatics Corporation to foster the identification of the most critical atomic interactions between drugs and their protein targets based on 3D x-ray crystallographic analyses. Defining the key amino acid residues for drug binding in proteins permits the prediction of specific mutations in human genomes that will affect the sensitivities of individuals to these compounds. The bond distances in Angstroms between the closest protein and drug atoms in each crystal complex are provided in downloadable tables, along with definition of the closest amino acid residue side-chains. The single nucleotide variants (SNV’s) that would affect these critical amino acid residues involved in drug interactions are also identified in DrugProNET. This website features comprehensive information on over 2000 compounds that have been co-crystallized with over 480 different human proteins in over 4400 protein-compound structures retrieved from the Research Collaboratory for Structural Bioinformatics (RCSB) Protein Databank (PDB). In addition, information is also available for an additional 748 compounds that are inhibitors of protein kinases. The protein and drug data were retrieved from several sources, including the RCSB PDB, Wikipedia, the Universal Protein Resource (UniProt), the National Center for Biotechnology Information’s (NCBI) RefSeq and PubChem websites, and the European Molecular Biology Laboratory (EMBL) European Bioinformatics Institute’s Kinase SARFari and ChEMBL websites.

Instructions...

DrugProNET is designed to be fast and simple to navigate. Just follow the steps outlined in each query. Presently, there are six different types of queries that you can perform with DrugProNET. You can search for target proteins if you know their UniProt ID, RefSeq ID, or one of their common gene or protein names. You can also query for approved drugs and other compound of interest if you know their CAS ID, PubChem CID, ChEMBL ID or one of their common or chemical names. A list of possible options for proteins or compounds are generated by typing at least two letters of their names or identification numbers, and waiting for a few moments for a complete list to appear.

Other Useful Online Resources From Kinexus...

DrugProNET is one of several useful open-access, online resources that are available from Kinexus to foster cell signalling research by academic and industrial scientists. Direct links to several of our other knowledgebases in the SigNET KnowledgeBank are provided just below the header at the top of each webpage in DrugProNET. Our related DrugKiNET knowledgebase features comprehensive information on over 800 compounds that have been experimentally determined to inhibit human protein kinases. This includes the retrieval of the lowest reported compound IC50, Ki and Kd values from several reputable sources for over 105,000 experimentally tested, non-redundant kinase-compound pairs. Using this information for training, we developed two kinase inhibitor prediction algorithms to further predict another 200,000 possible kinase-compound interactions. TranscriptoNET provides gene expression information on over 21,000 human genes in over 600 diverse human cell lines, organs and tissues. PhosphoNET features data on nearly 1 million confirmed or predicted human phosphorylation sites in the proteins encoded by these genes. KinATLAS reveals interactions between these proteins with each other in signalling systems as well as interactions with kinase inhibitory compounds. KinaseNET offers detailed information about 536 human protein kinases, whereas OncoNET provides expression and mutation information for 3000 cancer-related proteins in diverse human tissues and cell lines. For semi-quantitative data on actual protein expression in over 2,000 diverse biological specimens, please also visit our open-access KiNET DataBank with over 2000 antibody microarray analyses with over 1700 diverse pan- and phosphosite-specific antibodies. Most of these antibodies are available from Kinexus for screening lysates from cells and tissues using our Kinex™ KAM antibody microarrays or as stand-alone products at our www.kinexusproducts.ca website.