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Information
Total protein and ligand
Number of protein conformations: 3
Protein conformation
Number of ligand
4AA0
7
2BAK
3
1KV1
3
Total Ligand: 13
Ligands
Most active ligand
| Ligand | Activity | Score |
|---|---|---|
| B_3n | -8.0 | -10.704 |
Less active ligand
| Ligand | Activity | Score |
|---|---|---|
| B_3g | -5.68 | -7.963 |
Best correlation
| Protein Conformation | Ligand | pIC50 [µM] | Docking energy [kcal/mol] |
|---|---|---|---|
| 4AA0 | B_3n | -8.0 | -10.704 |
| 4AA0 | B_3l | -7.509 | -10.725 |
| 2BAK | B_3k | -7.328 | -10.828 |
| 2BAK | B_3b | -7.268 | -10.38 |
| 4AA0 | B_3d | -7.108 | -10.222 |
| 4AA0 | B_3c | -7.056 | -10.174 |
| 4AA0 | B_3a | -6.851 | -9.771 |
| 4AA0 | B_3j | -6.674 | -9.268 |
| 2BAK | B_3f | -6.286 | -8.946 |
| 1KV1 | B_3i | -6.211 | -8.025 |
| 4AA0 | B_3h | -6.161 | -7.97 |
| 1KV1 | B_3m | -5.772 | -6.627 |
| 1KV1 | B_3g | -5.68 | -7.963 |
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