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Table 4 ZINC codes, MolDock scores and predicted hydrogen bonds for the ten compounds selected among the top ranking 200 molecules against Cp1002_0515 (MtrA, DNA-binding response 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

75109074

-130.402

3

Thr73, Asp48, Arg116

12117405

-115.838

3

Arg119, Arg118, Ala115

02546720

-113.761

3

Thr73, Arg119

40266587

-116.119

2

Asp48, Leu117

71405274

-113.264

2

Arg116, Asp97

05687366

-111.376

2

Arg119, Asp48

04730243

-109.609

2

Arg119, Asp157

19720976

-109.061

2

Arg119

72342680

-108.299

2

Arg119, Asp157