Ligand name: 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
PDB ligand accession: KLD
DrugBank: n/a
PubChem: 137530113
ChEMBL: CHEMBL4474392
InChI Key: ASCMQTSVWSFRKT-AZUAARDMSA-N
SMILES: Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC(CN3C)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 A0S0A6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NH5	Download	Experimental	e6nh5A1 e6nh5B1 e6nh5C1 e6nh5D1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot