Docking with substructure query in a family

 
  1. Enter a coordinate file (in PDB format) of the core domain of a protein kinase:


          Example: my1stc.pdb

    OR

    Enter the 4 letters PDB code of a protein:     


  2. Define the substructure   ( or not for blind docking  )
    Draw a non flexible substructure

    Enable Java in your browser !
       OR   Enter the smile code


       OR   upload its pdb file   



  3. Choose the ligand database. You may choose several ones.

        Chimiotheque Nationale (UMR7081)
        CMC base
        Bio-compounds base
        NCI base
        CHEMBRIDGE base


 



Contact laetitia :at: cbs.cnrs.fr and catrino :at: cbs.cnrs.fr.