Ligand name: 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
PDB ligand accession: 6U2
DrugBank: n/a
PubChem: 11705863
ChEMBL: CHEMBL4248525
InChI Key: KWQRIWDMNAKJAF-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q13464

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KKT	Download	Experimental	e5kktA1 e5kktB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot