Chemical structure are compared using the PASS algorithm

1^st 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.

Structure requirements:

• 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;
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