Ligand name: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid
PDB ligand accession: F6L
DrugBank: n/a
PubChem: 155804423
ChEMBL: n/a
InChI Key: ZRXNUVMWWIBYNP-BARJCIPKSA-O
SMILES: CC1(c2ccccc2[N+](=C1C=Cc3ccc(cc3)OC4C(C(C(C(O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein P00722

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BTK	Download	Experimental	e7btkA2 e7btkA3 e7btkA4 e7btkB1 e7btkB4 e7btkB5 e7btkC1 e7btkC4 e7btkC5 e7btkD2 e7btkD3 e7btkD5	Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll jelly-roll TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like	LigPlot