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Table 1 Data set of the 46 co-crystallized ligands of BACE-1

From: Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE)

a1. 1W51, L01

2. 1TQF, 32P

3. 1YM2, AUA

4. 1YM4, AMK

5. 2B8V, 3BN

6. 2F3E, AXQ

7. 2F3F, AXF

8. 2IQG, F2I

9. 2IRZ, I02

10. 2IS0, I03

11. 2OAH, QIN

12. 2OHL, 2AQ

13. 2OHM, 8AP

14. 2OHP, 6IP

15. 2OHQ, 7IP

16. 2OHR, 8IP

17. 2OHS, 9IP

18. 2OHT, IP6

19. 2OHU, IP7

20. 2P83,MR0

21. 2PH6, 712

22. 2B8L, 5HA

23. 2QZL, IXS

24. 2ZE1, 411

25. 2QP8, SC7

26. 2VIE, VG0

27. 2VJ7, VG6

28. 2VJ9, VG7

29. 2VNM, CM8

30. 2VNN, CM7

31. 2WF0, ZY0

32. 2WF1, ZY1

33. 2ZDZ, 310

34. 2FDP, FRP

35. 3CIB, 314

36. 3CIC, 316

37. 3CID, 318

38. 3DM6, 757

39. 3DUY, AFJ

40. 3DV1, AR9

41. 2P4J, 23I

42. 3FKT, SII

 

43. 2QK5, CS5`

44. 1XS7, MMI

 

 

45. 1FKN, OM99-2

46. 1M4H, OM00-3

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