PDB ligand accession: 3B9
DrugBank: DB07041
PubChem:
ChEMBL: n/a
InChI Key: FDJWFDQRPKKBFA-UHFFFAOYSA-N
SMILES: CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylethers
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3BAC | Download | Experimental | e3bacA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |