Ligand name: ~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
PDB ligand accession: HLQ
DrugBank: n/a
PubChem: 139593666
ChEMBL: CHEMBL5079116
InChI Key: AUZFKJZRALGBMB-UHFFFAOYSA-N
SMILES: c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F
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 Q9I4X0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q7W	Download	Experimental	e6q7wA1	Periplasmic binding protein-like II	LigPlot