PDB ligand accession: C18
DrugBank: DB07513
PubChem:
ChEMBL:
InChI Key: JMGUSOLCNQVZCT-UHFFFAOYSA-N
SMILES: CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: None
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2V61 | Download | Experimental | e2v61A1 e2v61A2 e2v61B1 e2v61B2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |