Chemical structure are compared using the PASS algorithm

1st scenario

Choose a combined target-ligand set for comparing ligands with the input structure to predict protein targets of the ligands. See the list of protein targets estimated for binding the ligands.

  • at least three carbone atoms;
  • electrically neutral molecule;
  • the single molecule, no isolated atoms;
  • molecular weight no more than 1250 Da;
  • no more than four peptide bonds;
  • Marvin JS runs in any HTML5-capable browser without any plugin. For IE, version 9 or above is needed for Marvin JS due to use of HTML5.

Choose a dataset: