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. 2019 Jul 29;15(7):e1007953. doi: 10.1371/journal.ppat.1007953

Table 2. Affinity of the most favorable compound poses within lactate dehydrogenase active site.

Lactate Dehydrogenase Ligand Affinity (kcal/mol) Grid Box size (Å) Exhaustiveness
4ND2 (CpLDH) NSC10447 -7.6 40*40*40 10
1I0Z (human LDH) NSC10447 -7.1 24*14*20 10
4ND2 (CpLDH) NSC158011 -6.4 40*40*40 10
1I0Z (human LDH) NSC158011 -7.2 24*14*20 10