PDB ligand accession: VGH
DrugBank: DB08865
PubChem:
ChEMBL:
InChI Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N
SMILES: CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyrazolylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3ZBF | Download | Experimental | e3zbfA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |