Ligand name: N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
PDB ligand accession: 796
DrugBank: DB07235
PubChem: 16043304
ChEMBL: CHEMBL213618
InChI Key: HHOVRZGUSBMKKU-ZDUSSCGKSA-N
SMILES: CNc1nccc(n1)c2ccc(s2)C(=O)NC(Cc3ccc(cc3Cl)Cl)CN
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P17612

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2GU8	Download	Experimental	e2gu8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot