Ligand name: 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
PDB ligand accession: KMS
DrugBank: n/a
PubChem: 137530118
ChEMBL: CHEMBL4548400
InChI Key: QBZKHLSOLPLXGI-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylpropylamines

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
6NH8	Download	Experimental	e6nh8A1 e6nh8B1 e6nh8C1 e6nh8D1	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