PDB ligand accession: 4T9
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UIEXDKQSWATHMD-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Methoxybenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4C4E | Download | Experimental | e4c4eA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |