PDB ligand accession: TMU
DrugBank: DB01950
PubChem:
ChEMBL:
InChI Key: YAEMHJKFIIIULI-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Thiazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Q5K | Download | Experimental | e1q5kA1 e1q5kB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |