PDB ligand accession: AWH
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: ZRWLYRDALGQUID-PTWQKYQPSA-N
SMILES: CN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=Nc3cccc(c3)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenoxyacetic acid derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3ZEI | Download | Experimental | e3zeiA1 e3zeiA2 | Rossmann-like Rossmann-like | LigPlot |