Ligand name: 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
PDB ligand accession: KLY
DrugBank: n/a
PubChem: 137530108
ChEMBL: CHEMBL4588581
InChI Key: YNFSNSWWKPMRND-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC
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
6NH1	Download	Experimental	e6nh1B1 e6nh1A1 e6nh1C1 e6nh1D1	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