PDB ligand accession: 8H1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XNXUJUXYVTYIGP-IBGZPJMESA-N
SMILES: COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OCC(Cc5ccccc5)N
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 |
---|---|---|---|---|---|
3ION | Download | Experimental | e3ionA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |