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 |