PDB ligand accession: AXI
DrugBank: DB06626
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 |
|---|---|---|---|---|
| P35916 | Download | Predicted | P35916_F1_nD7 | Immunoglobulin-like beta-sandwich |
| 4BSJ | Predicted | e4bsjA4 e4bsjA3 | ||
| 4BSK | Predicted | e4bskA4 e4bskA3 |