Ligand name: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
PDB ligand accession: ISC
DrugBank: DB02793
PubChem: 189062
ChEMBL: n/a
InChI Key: NTGWPRCCOQCMGE-YUMQZZPRSA-N
SMILES: C=C(C(=O)O)OC1C=CC=C(C1O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Hydroxy acids and derivatives
      • Subclass: Beta hydroxy acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P9WK11

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ESO	Download	Experimental	e5esoA2 e5esoD3 e5esoD4 e5esoB1 e5esoC2 e5esoC4	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like	LigPlot