Ligand name: 4-NITROCATECHOL
PDB ligand accession: 4NC
DrugBank: DB03407
PubChem: 3505109
ChEMBL: CHEMBL42423
InChI Key: XJNPNXSISMKQEX-UHFFFAOYSA-N
SMILES: c1cc(c(cc1[N+](=O)[O-])O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q38M41

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VSI	Download	Experimental	e3vsiB1 e3vsiD1	LigB-like LigB-like	LigPlot