PDB ligand accession: 13K
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: AAKJGXGPYVKGQA-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N
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 |
---|---|---|---|---|---|
3TJP | Download | Experimental | e3tjpA4 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |