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. 2009 Feb 26;4(2):e4617. doi: 10.1371/journal.pone.0004617

Figure 4. Chemical structure of the lead compound and its interaction in the binding site in uPAR.

Figure 4

A. Top-scoring pose of the ligand MS#479 (magenta) shown in its binding pocket in uPAR. Side chains of polar residues within 3Å of the ligand are highlighted; the rest of the protein is displayed in a ribbon diagram. B. Hydrogen-bonding interactions. Polar atoms of the protein shown within 3Å of the ligand suggest corresponding derivatization for improvement of ligand binding affinity.