PDB ligand accession: 3VC
DrugBank: DB16879
PubChem:
ChEMBL:
InChI Key: KWRYMZHCQIOOEB-LBPRGKRZSA-N
SMILES: CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Bipyridines and oligopyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4WWN | Download | Experimental | e4wwnA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |