Ligand name: 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
PDB ligand accession: 9OJ
DrugBank: n/a
PubChem: 121250406
ChEMBL: CHEMBL4092027
InChI Key: GMHLRRHIOCDMQV-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C
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 P29474

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VVC	Download	Experimental	e5vvcA1 e5vvcB1 e5vvcC1 e5vvcD1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot