PDB ligand accession: 3RA
DrugBank: n/a
PubChem: 51346199;135566559;
ChEMBL:
InChI Key: ZDINVWCJHPMIKS-UHFFFAOYSA-N
SMILES: c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzodioxoles
- Subclass: None
- Class: Benzodioxoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4GW8 | Download | Experimental | e4gw8A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |