PDB ligand accession: 4MU
DrugBank: DB07118
PubChem:
ChEMBL:
InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N
SMILES: CC1=CC(=O)Oc2c1ccc(c2)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 |
---|---|---|---|---|---|
4V28 | Download | Experimental | e4v28A1 | TIM beta/alpha-barrel | LigPlot |