Table 2 Binding affinities as well as Lipinski's rule of five of top-10 VISTA inhibitors.

From: Structure based virtual screening and molecular simulation study of FDA-approved drugs to inhibit human HDAC6 and VISTA as dual cancer immunotherapy

Drug Name

Score

MW

HBD

HBA

RB

Rings

LogP

Oxymorphone

− 6.2

301.3371

2

3

2

5

0.7

Hydromorphone

− 6

285.3377

1

2

1

5

1.8

Morphine

− 5.9

285.3377

2

2

2

5

1.5

Spectinomycin

− 5.9

332.3496

5

4

5

3

− 3

Zanamivir

− 5.8

332.3098

7

6

11

1

− 3.1

Naloxone

− 5.8

327.3743

2

3

4

5

1.4

Saxagliptin

− 5.7

315.41

2

3

4

5

0.7

Pirenzepine

− 5.7

351.4023

1

3

3

4

0.9

Dicoumarol

− 5.7

336.295

2

4

4

4

1.6

Diamorphine

− 5.7

369.411

0

2

4

5

2.2

Reference inhibitor

− 5.8

374.35

7

10

10

1

− 6.7

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