Ligand name: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
PDB ligand accession: P94
DrugBank: n/a
PubChem: 121250394
ChEMBL: CHEMBL4062164
InChI Key: CDHZAJGZCBJOTB-UHFFFAOYSA-N
SMILES: c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P29475

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VV3	Download	Experimental	e5vv3A1 e5vv3B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot