Ligand name: 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
PDB ligand accession: S5M
DrugBank: n/a
PubChem: 74221357
ChEMBL: CHEMBL4755663
InChI Key: ODLDMAFDYHTWSE-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3
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 Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6W06	Download	Experimental	e6w06A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot