Ligand name: 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide
PDB ligand accession: S5E
DrugBank: n/a
PubChem: 155803653
ChEMBL: CHEMBL4746146
InChI Key: RWENGGARDXLTTR-FGZHOGPDSA-N
SMILES: Cc1c(c(on1)c2c(nns2)C)C(=O)NC(CCc3ccccc3)C(=O)NC(CC(=O)NC)c4ccc(cc4)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

List of PDB structures and/or AlphaFold models with target protein Q12866

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7AW4	Download	Experimental	e7aw4A1 e7aw4B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot