PDB code

Resolution

Ligand

Number

Ligand

formula

Cross-docking

Average RMSD

3LBL

1.6

1

C₂₉H₃₅Cl₂FN₄O₃

3.16

3TU1

1.6

2

C₂₃H₂₁ClF₂N₃O₄

3.50

4ERE

1.8

3

C₂₇H₃₁Cl₂NO₅

4.19

4DIJ

1.9

4

C₃₁H₂₉Cl₂N₅O₂

2.87

4ERF

2.0

5

C₂₅H₂₉Cl₂NO₄

3.05

3JZK

2.1

6

C₂₄H₁₆Br₂N₄O

2.17

3LBK

2.3

7

C₂₅H₁₇Cl₂N₃O₂

3.86