PDB ligand accession: U03
DrugBank: DB08663
PubChem:
ChEMBL: n/a
InChI Key: CCPGCKQLIHGSCJ-AWEZNQCLSA-N
SMILES: CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: Hydroxycoumarins
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3UPJ | Download | Experimental | e3upjB1 e3upjA1 | cradle loop barrel cradle loop barrel | LigPlot |