GPCR-specific Chemogenomics Knowledgebase for DA


 Disclaimer
This tool is provided free of charge to the public without warranty. By using this tool, you acknowledge the fact that we are not in any way responsible for any damages that your business may incur.
 About
DAKB-GPCRs is a knowledgebase for drug abuse research that implemented with our established chemogenomics tools as well as our algorithms for data visualization and analyses. This tool predicts the BioActivities on 86 drug abuse related GPCRs (G Protein-Coupled Receptors) for a query compound and provides a handy user interface for viewing, downloading and plotting the output results.
For a quick start, click on Create a Job to submit your compound. To learn more about how to use this tool, please refer to our User Guide.
 Citation

DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs
Maozi Chen, Yankang Jing, Lirong Wang, Zhiwei Feng, Xiang-Qun Xie
Journal of Chemical Information and Modeling, 2019, 59(4), pp 1283-1289
Publication Date: March 5, 2019
https://doi.org/10.1021/acs.jcim.8b00623
https://pubmed.ncbi.nlm.nih.gov/30835466/

 System Workflow & Architecture
Besides the functionalities provided on this website, we also provide a set of open APIs for people who are interested in consuming the power of our docking and prediction in their own way. To learn more about how, please refer to our documentations and inspectors.
Web UITarget HunterHTDockingBBB PredictorMachine LearningClassificationSpider Plot
Generic Computation PlatformSpider PlotBBB PredictionMachine Learning Based PredictionHTDockingTarget HunterSKLearnAutodock VinaOpen BabelMolecular FingerprintsOpen BabelTarget and ChEMBL BioActivity DatabaseSorry, your browser does not support inline SVG.
 Acknowledgements
This tool is developed proudly using Visual Studio Community 2019 with .NET Core, Entity Framework Core and SignalR in C# and TypeScript and is hosted on RHEL 7.4 with Apache. Thanks to the developers of all the tools used. If you should encounter any issue or have any question about the tool, please feel free to contact us at xieccgsgmailcom.