Ligand name: N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
PDB ligand accession: JI5
DrugBank: n/a
PubChem: 24764596
ChEMBL: CHEMBL594682
InChI Key: PUOKPLCASUFBAN-XLIONFOSSA-N
SMILES: Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(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 P29476

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3JX1	Download	Experimental	e3jx1A1 e3jx1B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot
3JWT	Download	Experimental	e3jwtA1 e3jwtB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot
3JX6	Download	Experimental	e3jx6A1 e3jx6B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot
3JX3	Download	Experimental	e3jx3A1 e3jx3B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot