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Information
Total protein and ligand
Number of protein conformations: 7
Protein conformation
Number of ligand
2ZIQ
23
6ZUU
11
5EW1
3
1C4Y
16
6T7H
6
1ZGI
15
1NT1
3
Total Ligand: 77
Ligands
Most active ligand
| Ligand | Activity | Score |
|---|---|---|
| C_1 | -8.38 | -7.003 |
Less active ligand
| Ligand | Activity | Score |
|---|---|---|
| C_72 | -4.36 | 0.057 |
Best correlation
| Protein Conformation | Ligand | pIC50 [µM] | Docking energy [kcal/mol] |
|---|---|---|---|
| 2ZIQ | C_1 | -8.38 | -7.003 |
| 6ZUU | C_3 | -8.3 | -8.116 |
| 6ZUU | C_4 | -8.21 | -7.679 |
| 5EW1 | C_5 | -8.13 | -9.55 |
| 6ZUU | C_6 | -8.06 | -7.258 |
| 2ZIQ | C_74 | -7.89 | -7.926 |
| 2ZIQ | C_8 | -7.8 | -9.343 |
| 2ZIQ | C_7 | -7.85 | -8.159 |
| 2ZIQ | C_9 | -7.77 | -7.483 |
| 2ZIQ | C_10 | -7.74 | -7.929 |
| 6ZUU | C_11 | -7.72 | -7.81 |
| 2ZIQ | C_12 | -7.68 | -9.04 |
| 1C4Y | C_13 | -7.64 | -4.459 |
| 6ZUU | C_14 | -7.59 | -9.627 |
| 2ZIQ | C_15 | -7.59 | -7.194 |
| 1C4Y | C_75 | -7.59 | -5.626 |
| 6ZUU | C_76 | -7.52 | -8.526 |
| 6T7H | C_17 | -7.47 | -4.685 |
| 5EW1 | C_77 | -7.44 | -8.259 |
| 1C4Y | C_19 | -7.43 | -3.959 |
| 2ZIQ | C_20 | -7.38 | -9.207 |
| 2ZIQ | C_21 | -7.38 | -9.177 |
| 2ZIQ | C_78 | -7.28 | -8.688 |
| 6ZUU | C_22 | -7.24 | -7.556 |
| 2ZIQ | C_23 | -7.23 | -8.127 |
| 2ZIQ | C_24 | -7.19 | -8.589 |
| 5EW1 | C_79 | -7.16 | -8.1 |
| 2ZIQ | C_25 | -7.12 | -7.979 |
| 6ZUU | C_26 | -7.05 | -7.493 |
| 2ZIQ | C_27 | -7.02 | -7.601 |
| 2ZIQ | C_28 | -6.96 | -6.841 |
| 2ZIQ | C_31 | -6.92 | -7.212 |
| 1ZGI | C_30 | -6.92 | -5.789 |
| 1C4Y | C_34 | -6.8 | -4.527 |
| 2ZIQ | C_32 | -6.82 | -6.672 |
| 6T7H | C_33 | -6.82 | -4.567 |
| 2ZIQ | C_80 | -6.77 | -8.097 |
| 1ZGI | C_36 | -6.7 | -6.329 |
| 2ZIQ | C_35 | -6.74 | -6.807 |
| 1ZGI | C_37 | -6.68 | -6.396 |
| 1NT1 | C_38 | -6.64 | -5.331 |
| 2ZIQ | C_81 | -6.59 | -6.862 |
| 1ZGI | C_40 | -6.59 | -5.78 |
| 1ZGI | C_42 | -6.55 | -5.724 |
| 1NT1 | C_41 | -6.55 | -5.526 |
| 6T7H | C_83 | -6.52 | -4.401 |
| 2ZIQ | C_43 | -6.49 | -5.378 |
| 6T7H | C_44 | -6.47 | -5.293 |
| 1C4Y | C_45 | -6.47 | -5.147 |
| 1ZGI | C_46 | -6.46 | -4.912 |
| 6T7H | C_48 | -6.3 | -4.591 |
| 1ZGI | C_49 | -6.29 | -4.861 |
| 1ZGI | C_85 | -6.28 | -4.528 |
| 1ZGI | C_84 | -6.28 | -4.399 |
| 1ZGI | C_51 | -6.2 | -5.651 |
| 1C4Y | C_50 | -6.24 | -4.782 |
| 1C4Y | C_54 | -6.05 | -3.586 |
| 1ZGI | C_55 | -5.96 | -5.818 |
| 6T7H | C_56 | -5.92 | -2.664 |
| 1C4Y | C_57 | -5.74 | -5.849 |
| 1ZGI | C_58 | -5.68 | -4.998 |
| 1C4Y | C_59 | -5.64 | -3.459 |
| 1ZGI | C_60 | -5.54 | -5.351 |
| 1ZGI | C_61 | -5.51 | -4.559 |
| 1NT1 | C_62 | -5.51 | -1.927 |
| 1C4Y | C_87 | -5.42 | 0.048 |
| 1C4Y | C_63 | -5.24 | -0.964 |
| 1ZGI | C_64 | -5.21 | -4.92 |
| 1C4Y | C_65 | -5.14 | -4.053 |
| 6ZUU | C_66 | -4.89 | -6.498 |
| 6ZUU | C_67 | -4.82 | -7.842 |
| 1C4Y | C_68 | -4.77 | -0.023 |
| 1C4Y | C_88 | -4.74 | -0.151 |
| 1C4Y | C_69 | -4.57 | -3.322 |
| 2ZIQ | C_70 | -4.52 | -7.021 |
| 6ZUU | C_71 | -4.46 | -8.192 |
| 1C4Y | C_72 | -4.36 | 0.057 |
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