Extended Data Fig. 2 |. Initial hits and selected analogs against AmpC β-lactamase.

5 initial hits are shown in the first column. For each compound, the first row is the ZINC ID; the second row is the cluster rank (position in cluster head list sorted by DOCK score) with global rank (position in unclustered hit list sorted by DOCK score) in the brackets; the third row is the Tc value (Tanimoto coefficient to known AmpC inhibitors in ChEMBL); the fourth row is the K_i value. Five selected analogs for the corresponding hits are shown in the second column. For each compound, the first row is the ZINC ID; the second row is the Tc value; the third row is the K_i value.