Ligand name: ~{N}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
PDB ligand accession: 7KD
DrugBank: DB12282
PubChem: 25117126
ChEMBL: CHEMBL3137331
InChI Key: FWLMVFUGMHIOAA-UHFFFAOYSA-N
SMILES: CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F
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 Q14680

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5MAH	Download	Experimental	e5mahA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot