Ligand name: 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid
PDB ligand accession: 752
DrugBank: n/a
PubChem: 122178133
ChEMBL: CHEMBL3577963
InChI Key: XDAKTDQGVCHONK-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Triazoles

List of PDB structures and/or AlphaFold models with target protein B8QIQ9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5LSC	Download	Experimental	e5lscA1 e5lscB1	Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase	LigPlot