Ligand name: 3-nitroquinolin-4-amine
PDB ligand accession: 2NB
DrugBank: n/a
PubChem: 280005
ChEMBL: n/a
InChI Key: SKPRPEJLFKCOAB-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Nitroquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein B3LRE1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NVH	Download	Experimental	e4nvhB1	Heme-dependent peroxidases	LigPlot