Welcome to idTarget
A web server for identifying biomolecular targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach
Identification of biomolecular targets of small chemical molecules is essential for unraveling their underlying causes of actions at the molecular level. Often, natural products, i.e., compounds discovered from plants, animals, marine lives or other living organism, exhibit useful pharmaceutical effects, e.g., anti-inflammatory, anti-cancer, anti- viral effects, yet their molecular mechanisms remain elusive. On the other hand, many drugs are known to be accompanied with unpleasant adverse effects, but the molecular targets of such effects are largely unknown. On the contrary, there are also some old drugs whose beneficiary effects are discovered only recently, e.g., the anticancer effect of cholesterol-lowering drugs, statins, whose molecular mechanisms have been an intensive research subject. idTarget is a web server that can predict possible binding targets of a small chemical molecule via a divide-and-conquer docking approach, in combination with our recently developed scoring functions and affinity profile of the protein target, where the new robust scoring function were trained based on robust regression analysis and quantum chemical charge models. In the divide-and-conquer docking calculations, small overlapping grids are adaptively constructed to constrain the searching space and thereby achieving the convergence of docking results with better efficiency. idTarget has been shown to be able to reproduce known off-targets of drugs or drug-like compounds.

News
  • 2015/08/28 idTarget server is back in service.
  • 2015/07/01 idTarget server crashed some weeks ago, because the hard disks of the machine were broken. We are still trying to rescue the server and we are sorry for the inconvenient situation.
    Hopefully, we'll be back in service by the end of August.
  • 2014/08/27 Due to a power outage event scheduled on 09/07, the idTarget server will be shutdown on 2014/09/07 at 5:00AM. All un-finished jobs will be terminated. The user may need to re-submit their jobs after that. We are sorry for the inconvenient situation.
  • 2014/03/10 idTarget server is back in service.
  • 2014/03/03 Due to a power outage event scheduled on 03/09, the idTarget server will be shutdown on 03/09 at 5:00AM. All un-finished jobs will be terminated. The user may need to re-submit their jobs after that. We are sorry for the inconvenient situation.
  • 2013/12/12 Due to a power outage event scheduled on 12/15, the idTarget server will be shutdown on 12/15 at 5:00AM. All un-finished jobs will be terminated. The user may need to re-submit their jobs after that. We are sorry for the inconvenient situation.
  • 2013/11/05 idTarget server is back in service.
  • 2013/09/01 idTarget server crashed some weeks ago, because the hard disk of the machine was broken. We are still trying to rescue the server now.
  • 2013/02/26 Due to the power outage event scheduled on 03/10, the idTarget server will be shutdown on that day. All un-finished jobs will be terminated. The user may need to re-submit their jobs after that. We are sorry for the inconvenient situation.
You can upload the molecular file of your ligand in pdb/cif/mol2/pdbqt format, or draw it on-line. Submit a job
Check the result of submitted job
You can check the status and current result of your submitted job.
Task ID of a submitted job:
Please cite:
Jui-Chih Wang, Pei-Ying Chu, Chung-Ming Chen, Jung-Hsin Lin*. idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach. Nucleic Acids Research 2012; doi: 10.1093/nar/gks496