PDB ligand accession: 4EG
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GXUWXZSLWMEZET-JXMROGBWSA-N
SMILES: COC(=O)C=C(C#N)c1ccccc1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: Cinnamic acid esters
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4YNC | Download | Experimental | e4yncA1 | TIM beta/alpha-barrel | LigPlot |