Ligand name: N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
PDB ligand accession: DF3
DrugBank: n/a
PubChem: 4405380
ChEMBL: CHEMBL1232179
InChI Key: BNPQVUSGXCJYEF-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3IW5	Download	Experimental	e3iw5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot