Ligand name: 6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
PDB ligand accession: X2E
DrugBank: n/a
PubChem: 56951856
ChEMBL: CHEMBL2365462
InChI Key: AUSIEXNWJKDTQY-BLIXFSHQSA-N
SMILES: Cc1cc(nc(c1)N)CC2CNCC2OCCNC(C)Cc3cccc(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
3RQP	Download	Experimental	e3rqpA2 e3rqpB2	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot