Ligand name: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
PDB ligand accession: AK1
DrugBank: DB07360
PubChem: 24880024
ChEMBL: CHEMBL472193
InChI Key: JJHXPDTVQKWKHA-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylureas

List of PDB structures and/or AlphaFold models with target protein Q8C3H8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3D14	Download	Experimental	e3d14A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot