Table 2 SMID-BLAST hits for Mycobacterium tuberculosis CDC1551 Phosphoglycerate Mutase. For clarity, only small molecule hits with a final ligand score above the cutoff value of 50 are included. Molecule 3-letter names were obtained from PDBSum [71].

IP6

11–12,14–15,17–18,22–24,93,101,117–118,206

897.76

VO3

11,18,23–25,90–91,93,101,117–118,185

804.199

3PG

11–15,18–19,24,63,90,183,209

799.119

Citric acid

11,18,22–25,63,90,93,101,117

690.171

FDQ

11–12,18,23,63,90,153,183–184,188

555.168

VA3

11–12,18,24,63,90,183–185

528.282

benzene hexacarboxylic acid

11,18,93,117–118,185,206

437.423

SO1

12,14–15,18–19,24

257.242

B-D-Fructose-6-P

23–24,90,101,115,119,153,184,188

134.283

GTP

23,90–91,101,112,115,119,124,153,184–185,188

124.075

G3P

101,115,119,153,184–185,188

62.337