Regorafenib
Function
DrugBank ID:
Description:
Regorafenib is an orally-administered inhibitor of multiple kinases. It is used for the treatment of metastatic colorectal cancer, advanced gastrointestinal stromal tumours, and hepatocellular carcinoma. FDA approved on September 27, 2012. Approved use of Regorafenib was expanded to treat Hepatocellular Carcinoma in April 2017. [DrugBank]
Targets:
Vascular endothelial growth factor receptor 1 (Humans); Vascular endothelial growth factor receptor 2 (Humans); Vascular endothelial growth factor receptor 3 (Humans); Mast/stem cell growth factor receptor Kit (Humans); Platelet-derived growth factor receptor alpha (Humans); Platelet-derived growth factor receptor beta (Humans); Fibroblast growth factor receptor 1 (Humans); Fibroblast growth factor receptor 2 (Humans); Angiopoietin-1 receptor (Humans); Discoidin domain-containing receptor 2 (Humans); High affinity nerve growth factor receptor (Humans); Ephrin type-A receptor 2 (Humans); RAF proto-oncogene serine/threonine-protein kinase (Humans); Serine/threonine-protein kinase B-raf (Humans); Mitogen-activated protein kinase 11 (Humans); Tyrosine-protein kinase FRK (Humans); Tyrosine-protein kinase ABL1 (Humans); Proto-oncogene tyrosine-protein kinase receptor Ret (Humans) [DrugBank]
Pharmacodynamics:
Not Available [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Regorafenib: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Regorafenib in the SMILES input box.
Step 2 - Blind docking for Regorafenib: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Regorafenib to perform blind docking.