Ligand name: 7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
PDB ligand accession: DBD
DrugBank: DB02827
PubChem: 446871
ChEMBL: CHEMBL577144
InChI Key: MDYIGSPVMWSFEZ-JTQLQIEISA-N
SMILES: c1ccc2c(c1)C(=NS2(=O)=O)OCC3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3
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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P18031

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1L8G	Download	Experimental	e1l8gA1	Flavodoxin-like	LigPlot