• SuperPain

    About SuperPain

    SuperPain is a database for pain stimulating and pain relieving compounds, which bind or potentially bind to ion channels, such as TRPV1, TRPM8, TRPA1, hERG, TREK1, P2X, ASIC or voltage-gated sodium channels.
    The database consists of about 8,700 ligands, which are characterized by experimentally measured binding affinities. Additionally, 100,000 putative ligands are included.

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    How to cite

    SuperPain - a resource on pain-relieving compounds targeting ion channels B. O. Gohlke, R. Preissner and S. Preissner Nucleic Acids Res.(Database issue)

    Docking pose of Capsaicin in TRPV-1

    Docking poses for capsaicin in TRPV1
    This picture shows a docking pose of capsaicin in TRPV1. The interacting residues, described in Jin Hee Lee et al. (2011), are shown in stick representation and colored in green. The surface is colored relating to the corresponding atom charge.

    Homology Model of Trpv1

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    How to...

    Search for compounds?

    It is easy to perform a live search for potential pain relieving compounds. Special features like receptor affinities, half maximal inhibitory concentration or purchasability can be selected and a similarity search can be done.

    View docking results?

    About 6,000 ligands were docked into the binding sites of TRPV1, hERG, ASIC and P2X. Click "View docking results" on the Compound search results page or see an example here.

    See the Receptors?

    Currently, there is no experimental data (X-ray, NMR) available on the atomic structure of the different ion channels. Click on Receptor. If Java is installed, you can easily navigate through a homology model of the TRPV1 receptor. Additionally we provide information on the other channels.

    View Clusters?

    Ligands were clustered regarding their similarity to each other and resulted in 684 clusters. Similarities are displayed in an interactive heat-map.