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Table 1 Predicted activity value (pIC50) of top ten ZINC compounds.

From: Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships

S.No.

ZINC ID

Predicted Activity

Extrapolation

1

ZINC20391511

13.436

-0.22

2

ZINC08792354

11.92

0.104

3

ZINC34105774

11.075

0.232

4

ZINC12892580

9.957

-0.373

5

ZINC11865797

9.883

0.314

6

ZINC68604752

9.68

-0.364

7

ZINC08877152

9.513

0.34

8

ZINC70700724

9.295

-0.051

9

ZINC33832195

9.142

-0.462

10

ZINC41669357

8.92

0.342