PDB ligand accession: 0SK
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WTTODOLGMIMGNK-VIFPVBQESA-N
SMILES: CC1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiazines
- Subclass: None
- Class: Benzothiazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4F4Q | Download | Experimental | e4f4qA2 e4f4qA3 | FAD-binding domain-like Alpha-beta plaits | LigPlot |