PDB ligand accession: AXI
DrugBank: DB06626
PubChem:
ChEMBL:
InChI Key: RITAVMQDGBJQJZ-FMIVXFBMSA-N
SMILES: CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3C=Cc4ccccn4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Thioethers
- Subclass: Aryl thioethers
- Class: Thioethers
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4AG8 | Download | Experimental | e4ag8A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
4AGC | Download | Experimental | e4agcA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |