PDB ligand accession: C29
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XWYHWMDBIRZPFG-UHFFFAOYSA-N
SMILES: CN1CCOc2c1ccc(c2)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzoxazines
- Subclass: None
- Class: Benzoxazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4K9C | Download | Experimental | e4k9cA2 e4k9cB2 | Rossmann-like Rossmann-like | LigPlot |