Ligand name: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
PDB ligand accession: TPV
DrugBank: DB00932
PubChem: 54682461
ChEMBL: CHEMBL222559
InChI Key: SUJUHGSWHZTSEU-FYBSXPHGSA-N
SMILES: CCCC1(CC(=C(C(=O)O1)C(CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Diarylheptanoids
      • Subclass: Linear diarylheptanoids

List of PDB structures and/or AlphaFold models with target protein Q9J006

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NJU	Download	Experimental	e4njuA1 e4njuB1 e4njuC1 e4njuD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot