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Table 4 NCI drugs target more than one protein.

From: Multiple target drug cocktail design for attacking the core network markers of four cancers using ligand-based and structure-based virtual screening methods

NO.

NCI Drug

Protein Name

LibDock Score

1

625439

KIAA0101

145.708

 

625439

HDAC1(4BKX)

134.097

 

625439

HDAC4(2VQM)

149.324

2

645378

CEBPB(2E_42)

158.637

 

645378

KIAA0101

140.103

3

668448

BRCA1(4IFI)

192.069

 

668448

PSMA3

166.516

4

668577

MYC(1NKP)

125.603

 

668577

PSMA3

180.11

5

682094

TERF1(3BQO)

123.287

 

682094

YWHAZ(4HKC)

182.534

6

687363

MYC(1NKP)

145.138

 

687363

YWHAZ(4HKC)

184.649

7

695175

TRAF2(1D0A)

101.267

 

695175

PSMA3

148.83

8

695409

TP53(1TSR)

125.821

 

695409

PSMA3

164.906

9

704565

KIAA0101

137.38

 

704565

HDAC4(2VQM)

153.564

10

719660

MYC(1NKP)

134.021

 

719660

YWHAZ(4HKC)

200.903

11

724305

CEBPB(2E_42)

167.724

 

724305

HDAC4(2VQM)

141.195

12

726771

BRCA1(4IFI)

142.956

 

726771

HDAC4(2VQM)

148.366

13

742856

MYC(1NKP)

140.093

 

742856

TP53(1TSR)

100.787