Ligand name: 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
PDB ligand accession: 3NW
DrugBank: n/a
PubChem: 46864262
ChEMBL: CHEMBL1230171
InChI Key: JQWPDTBHOVYRPB-UHFFFAOYSA-N
SMILES: CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NWW	Download	Experimental	e3nwwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot