Ligand name: 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
PDB ligand accession: KL4
DrugBank: n/a
PubChem: 137530112
ChEMBL: CHEMBL4562481
InChI Key: PTOVOAJZRWYLQM-GOSISDBHSA-N
SMILES: Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3
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
6NH3	Download	Experimental	e6nh3A1 e6nh3B1 e6nh3B1 e6nh3C1 e6nh3D1 e6nh3D1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain 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