Ligand name: 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide
PDB ligand accession: TJW
DrugBank: n/a
PubChem: 155803663
ChEMBL: CHEMBL5081039
InChI Key: GODYJVJUBKYVOU-FIBWVYCGSA-N
SMILES: CS(=O)(=O)N1CCCC(C1)NC(=O)C(CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q08345

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BE6	Download	Experimental	e7be6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot