Ligand name: 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide
PDB ligand accession: A96
DrugBank: DB07326
PubChem: 23658582
ChEMBL: CHEMBL491429
InChI Key: FEGRQUWSKADGSP-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Trifluoromethylbenzenes

List of drug binding-associated PTMs

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
3DTW	Download	Experimental	e3dtwA2 e3dtwB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot