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Fig. 10 | Journal of Cheminformatics

Fig. 10

From: BioisoIdentifier: an online free tool to investigate local structural replacements from PDB

Fig. 10

A Structure of Catechol. B Three active ERK2 inhibitors suggested from a BII search. C–F Interaction networks between 42A and 98N, ER8, MWL and ERK2/MAPK, respectively. In this figure, the ligands are named according to their PDB 3-lettercodes, and the proteins are named according to PDB4-lettercodes. Putative hydrogen bonds are shown as yellow dotted lines and the distance is labelled. The carbon atoms of structural replacements in the target ligand are highlighted in cyan, while others are shown in green, purple, yellow and brown, respectively

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