PDB ligand accession: TPY
DrugBank: DB08641
PubChem:
ChEMBL: n/a
InChI Key: JPQYVEFTAZEPOD-BXKDBHETSA-N
SMILES: CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=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 |
---|---|---|---|---|---|
1E38 | Download | Experimental | e1e38B1 | cradle loop barrel | LigPlot |
1E36 | Download | Experimental | e1e36B1 | cradle loop barrel | LigPlot |
1E37 | Download | Experimental | e1e37B1 | cradle loop barrel | LigPlot |