The 2D and 3D properties available for each compound have been calculated using MOE (Chemical Computing Group) and Chemaxon (JChem library) according to the studies described below:
  • Privileged Substructures to Modulate Protein-Protein Interactions.
    Bosc N, Kuenemann MA, Bécot J, Vavrusa M, Cerdan AH, Sperandio O.
    J Chem Inf Model. 2017 Oct 23;57(10):2448-2462. doi: 10.1021/acs.jcim.7b00435. Epub 2017 Sep 27.
    PMID: 28922596
  • iPPI-DB: an online database of modulators of protein-protein interactions.
    Labbé CM, Kuenemann MA, Zarzycka B, Vriend G, Nicolaes GA, Lagorce D, Miteva MA, Villoutreix BO, Sperandio O.
    Nucleic Acids Res. 2016 Jan 4;44(D1):D542-7. doi: 10.1093/nar/gkv982. Epub 2015 Oct 1.
    PMID: 26432833

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