Ligand name: N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
PDB ligand accession: SM9
DrugBank: n/a
PubChem: 51000425
ChEMBL: n/a
InChI Key: ABPGHPHYGKUEIO-SUYBVONHSA-N
SMILES: CCOCCN(CC(CN1CCCC2(C1)CCN(C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein P31749

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3QKM	Download	Experimental	e3qkmA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot