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Table 4 List of natural chemical compounds with their pIC50 value predicted on the basis of the generated 3D QSAR model.

From: Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors

S.No.

ZINC IDs of natural compounds

pIC50 value

1.

ZINC08740008

1.800

2.

ZINC08765494

1.413

3.

ZINC12658654

1.904

4.

ZINC20610445

1.473

5.

ZINC38408096

1.605

6.

ZINC70664813

1.956

7.

ZINC70665093

1.677

8.

ZINC70673869

1.639

9.

ZINC72325052

1.624

10.

ZINC70665574

1.504

11.

ZINC59408720

1.503

12.

ZINC70698850

1.452

13.

ZINC02429300

1.623

14.

ZINC09130210

1.571

15.

ZINC67912863

2.198

16.

ZINC67912866

1.791

17.

ZINC70455089

1.771

18.

ZINC70454956

1.766

19.

ZINC59589328

1.528

20.

ZINC32787454

1.459

21.

ZINC04266010

1.700

22.

ZINC03845145

1.575

23.

ZINC68574485

1.550

24.

ZINC03978366

1.548