Ligand name: N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
PDB ligand accession: SMH
DrugBank: n/a
PubChem: 50990925
ChEMBL: n/a
InChI Key: ONZIIEDMJXLRAD-NEKDWFFYSA-N
SMILES: CCOCCN(CC(CN1CCCC2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 1-benzopyrans

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
3QKK	Download	Experimental	e3qkkA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot