Ligand name: 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea
PDB ligand accession: 6UX
DrugBank: n/a
PubChem: 5329829
ChEMBL: CHEMBL188381
InChI Key: SNRUTMWCDZHKKM-UHFFFAOYSA-N
SMILES: CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein Q8NB16

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KNJ	Download	Experimental	e5knjA1 e5knjB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot