Ligand name: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
PDB ligand accession: YIW
DrugBank: n/a
PubChem: 53497556
ChEMBL: CHEMBL1938736
InChI Key: GQJUPNKTYNFBRZ-UHFFFAOYSA-N
SMILES: CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

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
2YIW	Download	Experimental	e2yiwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot