PDB ligand accession: P30
DrugBank: DB12874
PubChem:
ChEMBL:
InChI Key: CVWXJKQAOSCOAB-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 4RT7 | Download | Experimental | e4rt7A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
| 4XUF | Download | Experimental | e4xufA1 e4xufB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |