Ligand name: 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
PDB ligand accession: KKR
DrugBank: n/a
PubChem: 58441401
ChEMBL: CHEMBL2316958
InChI Key: DLNUPKDFXMWRFP-UHFFFAOYSA-N
SMILES: CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thienopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZIM	Download	Experimental	e3zimA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot