PDB ligand accession: S3C
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZCOCHUAGSBNGCP-CLTKARDFSA-N
SMILES: c1cc(c(c(c1Cl)C=C(C(=O)O)S)Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: Cinnamic acids
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4TYT | Download | Experimental | e4tytA1 | Metallo-hydrolase/oxidoreductase | LigPlot |