Table 2. Selected predicted secondary targets of compound 1 in pathogens.
| Protein | Species | AD Score | SOIPPA p-value | Sequence Identity | FATCAT p-value |
| probable ATP-dependent DNA ligase (2FAO:A) | Pseudomonas aeruginosa | −10.57 | 1.34×10−2 | 5% | 0.440 |
| UDP-galactose 4-epimerase (1GY8:D) | T. brucei | −10.29 | 1% | 0.622 | |
| dTDP-D-glucose 4,6-dehydratase (1KET:B) | Streptococcus suis | −9.55 | 5% | 0.502 | |
| dihydrofolate reductase-thymidylate (1J3I:C) | Plasmodium falciparum | −9.53 | 1.34×10−2 | 5% | 0.428 |
| DNA ligase, NAD-dependent (1TAE:B) | E. faecalis v583 | −9.49 | 8% | 3.56×10−2 | |
| dTDP-D-glucose 4,6-dehydratase (1G1A:C) | S. enterica | −9.24 | 1% | 0.529 | |
| adenine phosphoribosyltransferase (1MZV:A) | Leishmania tarentolae | −8.61 | 11% | 0.649 | |
| UTP-gluc-1-P uridylyltransferase 2 (2OEG:A) | Leishmania major | −8.56 | 7.82×10−3 | 8% | 0.724 |
| purine nucleoside phosphorylase (2B94:A) | Plasmodium knowlesi | −7.61 | 2% | 0.650 | |
| DNA ligase (1ZAU:A) | M. tuberculosis | −6.75 | 4% | 2.82×10−2 |
“AD score” refers to the AutoDock-predicted energy of binding to 1; “SOIPPA p-value” refers to the similarity between the secondary-target and TbREL1 active sites; “sequence identity” refers to the percent amino-acid identity with TbREL1 as computed by the CLUSTALW2 algorithm; and “FATCAT p-value” refers to the structural similarity between the secondary target and TbREL1. Protein sequences were extracted from PDB seqres headers.