Ligand name: N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
PDB ligand accession: SMR
DrugBank: n/a
PubChem: 50990926
ChEMBL: n/a
InChI Key: ZSKFBGIRLVOQAD-MUAVYFROSA-N
SMILES: CCOCCN(CC(CN1CCCC2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C
Drug action: n/a

ClassyFire chemical classification:

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

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
3QKL	Download	Experimental	e3qklA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot