Ligand name: 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid
PDB ligand accession: 8EK
DrugBank: n/a
PubChem: 118908914;137142885;
ChEMBL: CHEMBL4071212
InChI Key: RJQYGCGMQYVVIB-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q8TDX5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PWY	Download	Experimental	e7pwyA1 e7pwyB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot