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Table 2 Information on molecular docking

From: Study on the mechanisms of compound Kushen injection for the treatment of gastric cancer based on network pharmacology

No.

Protein Name

PDB ID

Protein structure

Test Compounds

Docking Scores (pKd/pKi)

1

AKT1

1UNQ

adenine

6.394

2

CCNE1

5L2W

adenine

5.443

3

CDK2

2R3I

adenine

5.669

4

CDK2

2R3I

macrozamin

5.922

5

CDK4

2 W96

macrozamin

5.153

6

CDK6

1BLX

macrozamin

6.431

7

EGFR

3W2S

adenine

5.935

8

ERBB2

2A91

adenine

6.403

9

IKBKB

4KIK

adenine

6.45

10

MAPK1

3O71

adenine

6.291

11

MAPK8

3PZE

adenine

5.754

12

MMP2

1GEN

adenine

6.4

13

PIK3CA

5DXT

adenine

6.326

14

RAF1

1C1Y

adenine

6.105