Ligand name: 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
PDB ligand accession: YIX
DrugBank: n/a
PubChem: 9842281
ChEMBL: CHEMBL1938764
InChI Key: PHHKWHBPRKFKKF-UHFFFAOYSA-N
SMILES: CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C
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 Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YIX	Download	Experimental	e2yixA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot