Ligand name: 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM
PDB ligand accession: O16
DrugBank: DB01897
PubChem: 448998;5289059;5326847;6105620;45157700;
ChEMBL: n/a
InChI Key: BEIGFKLRGRRJJA-JLHYYAGUSA-O
SMILES: c1ccc(cc1)C=Cc2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein O60760

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1V40	Download	Experimental	e1v40A2 e1v40A1 e1v40B2 e1v40B1 e1v40C2 e1v40C1 e1v40D2 e1v40D1	Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins	LigPlot