Ligand name: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one
PDB ligand accession: H2E
DrugBank: n/a
PubChem: 138753227
ChEMBL: CHEMBL4745255
InChI Key: HRZBUHAVTBTHTM-HXUWFJFHSA-N
SMILES: CC(CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiopyrans
      • Subclass: 1-benzothiopyrans

List of PDB structures and/or AlphaFold models with target protein Q8NEB9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6I3U	Download	Experimental	e6i3uA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot