PDB ligand accession: 5VC
DrugBank: DB12556
PubChem: n/a
ChEMBL:
InChI Key: LCVIRAZGMYMNNT-VVONHTQRSA-N
SMILES: c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O
Drug action: regulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5EW9 | Download | Experimental | e5ew9A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |