Ligand name: 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea
PDB ligand accession: 62E
DrugBank: n/a
PubChem: 137348420
ChEMBL: CHEMBL4527749
InChI Key: TYRAWDXLPFZNOP-UHFFFAOYSA-N
SMILES: CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6
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 P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HLW	Download	Experimental	e5hlwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot