PDB ligand accession: EPR
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: CHNUOJQWGUIOLD-KEBJEMEDSA-N
SMILES: CC(=Cc1ccccc1)C=C2C(=O)N(C(=S)S2)CC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JIR | Download | Experimental | e4jirA1 | TIM beta/alpha-barrel | LigPlot |