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Table 2 List of compounds with FlexS similarity score higher than 6.5. (The score of template molecule PF-4708671 = 10)

From: Identification of a novel S6K1 inhibitor, rosmarinic acid methyl ester, for treating cisplatin-resistant cervical cancer

1

BBC32

7.7308

21

KR_CW_4

7.3366

41

KR_CT_1

6.9312

61

JC32

6.6894

2

TOH27

7.6826

22

LY2584702

7.2976

42

TOH30

6.9239

62

KR_PC_19

6.6871

3

KR_GE_56

7.6669

23

KR_CW_3

7.2956

43

JGCC121

6.9237

63

SRE10

6.6444

4

KR_PK_25

7.6421

24

TOH37

7.2726

44

DG2

6.9233

64

BSCC31

6.6342

5

KR_CW_7

7.6234

25

KR_PC_1

7.2496

45

TOH25

6.9217

65

BSCC6

6.6272

6

KR_PK_18

7.621

26

JC1

7.2219

46

KR_CW_1

6.898

66

PMBC2

6.6152

7

BBH3

7.6062

27

KR_PK_2

7.2159

47

KR_PC_12

6.8931

67

KR_BK_30

6.576

8

BBC7

7.6062

28

PFE5

7.2075

48

KR_CT_2

6.8671

68

KR_BK_13

6.5618

9

KR_GE_52

7.5701

29

KR_CT_13

7.1872

49

KR_CT_4

6.8218

69

KR_HV_11

6.5519

10

BBC33

7.503

30

KR_CW_2

7.1569

50

KR_CT_5

6.8207

   

11

KR_CT_3

7.4814

31

KR_CW_9

7.1418

51

KR_CT_10

6.8103

   

12

KR_CT_12

7.471

32

KR_PK_15

7.0917

52

Pfizer

6.7808

   

13

KR_PK_23

7.4528

33

BKHC1

7.0725

53

Lilly

6.772

   

14

JC8

7.4419

34

KR_CT_11

7.0143

54

JC12

6.7711

   

15

KR_CT_7

7.3919

35

KR_LA_1

6.9976

55

KR_CT3

6.7694

   

16

KR_CW_6

7.3867

36

KR_PK_19

6.9908

56

KR_HV_12

6.7583

   

17

JGCC60

7.3785

37

JSY1

6.9793

57

KR_CT_8

6.736

   

18

KR_CT2

7.374

38

KR_PGA_3

6.9675

58

KR_PN_4

6.7145

   

19

KR_GE_53

7.3672

39

5,559,274

6.959

59

KR_BM_48

6.7062

   

20

KR_PK_16

7.3587

40

KR_PGA_2

6.9566

60

BSCC7_

6.7011

   
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