Ligand name: 3,5-DINITROCATECHOL
PDB ligand accession: DNC
DrugBank: DB02105
PubChem: 3870203
ChEMBL: CHEMBL168276
InChI Key: VDCDWNDTNSWDFJ-UHFFFAOYSA-N
SMILES: c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenols
      • Subclass: Nitrophenols

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P21964

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6I3D	Download	Experimental	e6i3dA1 e6i3dB1	Rossmann-like Rossmann-like	LigPlot
5LSA	Download	Experimental	e5lsaA1	Rossmann-like	LigPlot
3BWM	Download	Experimental	e3bwmA1	Rossmann-like	LigPlot
6I3C	Download	Experimental	e6i3cA1	Rossmann-like	LigPlot
3A7E	Download	Experimental	e3a7eA1	Rossmann-like	LigPlot