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Table 6 ZINC codes, MolDock scores and predicted hydrogen bonds for the ten compounds selected among the top ranking 200 molecules against Cp1002_1648 (TcsR,Two component transcriptional regulator).

From: Proteome scale comparative modeling for conserved drug and vaccine targets identification in Corynebacterium pseudotuberculosis

ZINC IDs

MolDock score

Number of H-bonds/ residues interacting with the compound

00510419

-167.633

3

Val76, Gln185, Asn193

01617096

-146.178

3

Ala74, Gln185, Arg191

32911447

-148.424

3

Gln185, Ala70, Arg193

00091802

-143.287

3

Val76, Ala51

67847806

-156.655

4

Thr75, Thr75, Pro48, Val76

19399766

-160.743

3

Val76, Val76, Ala51

16980834

-147.631

4

Ala66, Val76

06269029

-145.277

4

Thr75, Pro48, Val76

05934077

-145.785

3

Arg191, Gln185

01647971

-167.152

3

Thr75, Val76, Ala51