PDB ligand accession: XK9
DrugBank: n/a
PubChem: 57547754;118037514;172934385;
ChEMBL: n/a
InChI Key: CTGMEYONMRTKGL-LSHDLFTRSA-N
SMILES: CC(=NNC(=N)NO)c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2XK9 | Download | Experimental | e2xk9A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |