Table 2 Shortlisted invariant RvIDs

1

Rv2763c, dfrA^{a,b, d}

Essential step for de novo glycine and purine

Yes (1DG5)

Total 24 inhibitors

CHEMBL2098242 (Docking score = − 10.28)

SB-439950 (Docking score = − 10.88) and CHEMBL2098242 (Docking score = − 10.28)

2

Rv1094, desA2^a

Conversion of saturated fatty acids to unsaturated fatty acids

No NS (1ZA0)

GR119270B (Docking score = − 5.09)

CHEMBL535116 (Docking score = − 6.79)

3

Rv3247c, tmk^a

Probable Thymidylate Kinase TMK

(dTMP Kinase) (Thymidilic Acid Kinase)

Yes (1G3U)

GW663013X (Docking score = − 2.60)

CHEMBL2098151 (Docking score = − 11.08)

4

Rv3607c, folB^{a, c, d}

Dihydroneopterinaldolase

Yes (1NBU)

GSK2168465A (Docking score = − 4.2)

CHEMBL2097950 (Docking score = − 6.88)

5

Rv3048c, nrdF2^a

Involved in the DNA replication pathway

No NS (1UZR)

GR119270B (Docking score = − 3.90)

CHEMBL2098385 (Docking score = − 9.01)

6

Rv2965c, kdtB

Phosphopantetheineadenylyltransferase

No NS (3PNB)

SKF-67461 (Docking score = − 3.39)

CHEMBL2097847 (Docking score = − 6.92)

7

Rv2361c, uppS^{a, c} (No GSK inhibitor reported)

Z-decaprenyl

Diphosphatesynthase

Yes (2VG2)

No reported inhibitor

CHEMBL2098151 (Docking score = − 12.62)