PDB ligand accession: C17
DrugBank: DB07512
PubChem:
ChEMBL:
InChI Key: ZOCADHRNWNJARU-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
2V60 | Download | Experimental | e2v60A1 e2v60A2 e2v60B1 e2v60B2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |