Ligand name: N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
PDB ligand accession: XY2
DrugBank: DB08751
PubChem: 6857727
ChEMBL: n/a
InChI Key: YSVJZZZGPPWEIC-UHFFFAOYSA-N
SMILES: CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxadiazoles
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P01112

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2CE2	Download	Experimental	e2ce2X1	P-loop domains-like	LigPlot
2CLC	Download	Experimental	e2clcX1	P-loop domains-like	LigPlot
2CL7	Download	Experimental	e2cl7X1	P-loop domains-like	LigPlot
2CL6	Download	Experimental	e2cl6X1	P-loop domains-like	LigPlot
2EVW	Download	Experimental	e2evwX1	P-loop domains-like	LigPlot
2CL0	Download	Experimental	e2cl0X1	P-loop domains-like	LigPlot