Ligand name: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
PDB ligand accession: L6I
DrugBank: n/a
PubChem: 118170767
ChEMBL: CHEMBL3819587
InChI Key: ZDNGJXBUEQNFBQ-GCJKJVERSA-N
SMILES: Cc1ccc(cc1CN2CC(Oc3ccccc3S2(=O)=O)C)C(CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Phenylpropanoic acids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9Z2X8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5FNU	Download	Experimental	e5fnuA1	beta-propeller-like	LigPlot