Ligand name: N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
PDB ligand accession: JI4
DrugBank: n/a
PubChem: 24798098
ChEMBL: CHEMBL480419
InChI Key: PUOKPLCASUFBAN-FXAWDEMLSA-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
3JX2	Download	Experimental	e3jx2A1 e3jx2B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot
3JWS	Download	Experimental	e3jwsA1 e3jwsB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot
3JX0	Download	Experimental	e3jx0A1 e3jx0B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot