This is LigDig

a web application for investigating ligand-protein interactions. LigDig can be used to query structural and functional properties. Learn more

  • Find a compound Logo

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    Type in a compound name in plain text, and find a list of compounds that fit this description. Allows you to further search for protein structures (as PDB files) containing the compound.

    Find Compound
  • Find an inhibitor Logo

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    Search the ChEMBL database using a Uniprot protein identifier to identify inhibitors. All compounds in the database that bind to this protein are returned. These compounds are then further queried to identify all other proteins that they target. The tool can be useful in understanding cross-talk within signalling pathways, or off-target effects of drugs.

    Find an inhibitor
  • Search functional annotation Logo

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    Type in a PDB code and get for each of the ligands in the structure the functional role as annotated in the reaction database SABIO-RK.

    Find Ligand Function
  • Search Ligand ID Logo

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    Upload an Excel table and this tool adds related database IDs for each compound name. Optional, the mapped compound IDs can be restricted to user-specified molecular formula and/or charges.

    Batch Search For Ligands
  • Find a protein structure Logo

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    Search the Protein Data Bank for a list of PDB files. The protein structures will be linked to other database sources able to be further studied by tools for binding site prediction and comparison.

    Find protein structures
  • Superpose ligand binding sites logo

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    Perform a 3D Superposition of ligand binding sites, using the fconv and ProBiS tools. Binding sites can be superposed directly, or by superposing ligands, and performing the accompanying rotation and translation of the results. Binding sites and ligands can then be viewed online using JSMol.

    Superpose ligand binding sites
  • Structure Preparation Logo

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    Download crystal structures from the Protein Data Bank or wwPDB for a list of PDB codes and prepare them by adding hydrogens using pdb2pqr and fconv.

    Structure Preparation
  • Question Mark

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    Allows you to review, edit and delete your previous searches.

    Session Info
  • ProSAT

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    ProSAT+ is a web server to explore the relation between sequence and structural properties and can be used to map and visualize sequence annotations onto a 3D structure. ProSAT+ allows the visualization of a 3D protein structure with highlighted functional regions together with annotations of the functional effects of point mutations.

    Go to ProSAT+