Ligand name: (4S,6S)-6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine
PDB ligand accession: 3XE
DrugBank: n/a
PubChem: 49837863
ChEMBL: n/a
InChI Key: DAHQXGAQQOLJFX-NBMJBFSESA-N
SMILES: CC1CC(N=C(C1)N)CC2CNCC2OCCNCC(c3ccccc3)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
3NM0	Download	Experimental	e3nm0A1 e3nm0B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot