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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery

Fig. 4

Overview of the WDR5 WBM pocket and the known binding molecules. Left Panel: WBM pocket (orange) on WDR5 protein (β-propeller blades each in a different color). Right Panel: zoom-in of WBM pocket showing ligands with binding mode illustration. Ligand structures were superimposed with MOE. MYC MbIIIb peptide (Cyan, PDB: 4Y7R), WM-662 (Green, PDB: 8F1G) and Compound 1 (Red, PDB: 8G3C) from Novartis, and Compound 12 from the Fesik lab (Magenta, PDB: 6UOZ)

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