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Molecular docking information.
| Compounds | Binding Affinity (kcal/mol) |
|
|---|---|---|
| COX-2 (PDB ID:5F1A) | EP4 (PDB ID:5YWY) | |
| Fulvic acid (PubChem CID:5359407) | −8.411 | −7.553 |
| Grapiprant (PubChem CID:11677589) | – | −9.354 |
| PGE2 (PubChem CID:5280360) | – | −7.813 |
| Celecoxib (PubChem CID:2662) | −9.160 | – |
| 5-fluorouracil (PubChem CID:3385) | −5.778a | −5.135a |
It is possible that the predicted binding site is inconsistent with the actual binding pocket, and that the calculated binding affinity is too weak to be reliable.
