PDB ligand accession: JYZ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UJFGQFJVAPMCHZ-XYOKQWHBSA-N
SMILES: COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: Hydroxycinnamic acids and derivatives
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6RCB | Download | Experimental | e6rcbA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |