Ligand name: 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
PDB ligand accession: KLA
DrugBank: n/a
PubChem: 137530124
ChEMBL: CHEMBL4446153
InChI Key: PNHNZORGNQGMRR-ZWKOTPCHSA-N
SMILES: Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC(CN3)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
6NH4	Download	Experimental	e6nh4A1 e6nh4B1 e6nh4B1 e6nh4C1 e6nh4D1	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