Ligand name: 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
PDB ligand accession: JRR
DrugBank: n/a
PubChem: 46225774
ChEMBL: CHEMBL607146
InChI Key: NESZTSPBRDBHCW-XLIONFOSSA-N
SMILES: Cc1cc(nc(c1)N)CC2CNCC2OCCNCCc3cccc(c3)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenethylamines

List of PDB structures and/or AlphaFold models with target protein P29473

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NLE	Download	Experimental	e3nleA1 e3nleB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot
3NLI	Download	Experimental	e3nliA1 e3nliB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot