Ligand name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
PDB ligand accession: 8GI
DrugBank: n/a
PubChem: 9910393
ChEMBL: CHEMBL3183703
InChI Key: HUUSXLKCTQDPGL-UHFFFAOYSA-N
SMILES: CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Indanes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q96P20

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7PZC	Download	Experimental	e7pzcA1 e7pzcA2 e7pzcA3 e7pzcA5 e7pzcB1 e7pzcB2 e7pzcB3 e7pzcB4 e7pzcC1 e7pzcC2 e7pzcC3 e7pzcC4 e7pzcD1 e7pzcD2 e7pzcD3 e7pzcD4 e7pzcE1 e7pzcE2 e7pzcE3 e7pzcE4 e7pzcF1 e7pzcF2 e7pzcF3 e7pzcF4 e7pzcG1 e7pzcG2 e7pzcG3 e7pzcG4 e7pzcH1 e7pzcH2 e7pzcH3 e7pzcH5 e7pzcI1 e7pzcI2 e7pzcI3 e7pzcI4 e7pzcJ1 e7pzcJ2 e7pzcJ3 e7pzcJ4	Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like Single-stranded right-handed beta-helix P-loop domains-like NLRC4 helical domain HD2 Histone-like	LigPlot