Ligand name: 6-{[(3S,4S)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
PDB ligand accession: 3XA
DrugBank: n/a
PubChem: 49837753
ChEMBL: n/a
InChI Key: IRAITVAESBBILD-HNAYVOBHSA-N
SMILES: Cc1cc(nc(c1)N)CC2CNCC2OCCNCC(c3cccc(c3)F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Aminopyridines and derivatives

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
3NLV	Download	Experimental	e3nlvA1 e3nlvB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot