Ligand name: 1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
PDB ligand accession: 42Q
DrugBank: n/a
PubChem: 15949613
ChEMBL: CHEMBL1254007
InChI Key: TWOLOZGQZKJZKJ-UHFFFAOYSA-N
SMILES: Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein P35968

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VHE	Download	Experimental	e3vheA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot