Ligand name: heptyl 1-thio-beta-D-glucopyranoside
PDB ligand accession: HTG
DrugBank: DB04450
PubChem: 656917
ChEMBL: n/a
InChI Key: HPEGNLMTTNTJSP-LBELIVKGSA-N
SMILES: CCCCCCCSC1C(C(C(C(O1)CO)O)O)O
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 Q9L6V3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2BGI	Download	Experimental	e2bgiA1 e2bgiA2	cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain	LigPlot
2VNJ	Download	Experimental	e2vnjA5 e2vnjA6	cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain	LigPlot
2VNI	Download	Experimental	e2vniA5	cradle loop barrel	LigPlot
2VNH	Download	Experimental	e2vnhA5 e2vnhA6	cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain	LigPlot