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Three compounds determined most likely to be active from Ward clustering using interaction fingerprint (DB01280, DB02407, and DB04860). a Superimposition of clustered drugs, abacavir (red), DB01048 (abacavir from DrugBank, orange), DB01280 (purple), DB02407 (green), and DB04860 (blue). Binding modes of b native abacavir (PDB: 3VRI), c DB01280, d DB02407, and e DB04860 with the measured DS and eM scores from XP + P1 docking. The binding mode of DB01048 is not shown
