Ligand name: N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
PDB ligand accession: ITI
DrugBank: n/a
PubChem: 46886319
ChEMBL: CHEMBL1090356
InChI Key: BFTPDUXUTFGDLP-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Oxazinanes
      • Subclass: Morpholines

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3LZB	Download	Experimental	e3lzbA1 e3lzbB1 e3lzbC1 e3lzbD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot