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 P0A6A8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EJE	Download	Experimental	e3ejeB1 e3ejeA1 e3ejeD1 e3ejeC1 e3ejeF1 e3ejeE1 e3ejeH1 e3ejeG1	Cytochrome P450 ACP-like Cytochrome P450 ACP-like Cytochrome P450 ACP-like Cytochrome P450 ACP-like	LigPlot
3EJB	Download	Experimental	e3ejbB1 e3ejbA1 e3ejbD1 e3ejbC1 e3ejbF1 e3ejbE1 e3ejbH1 e3ejbG1	Cytochrome P450 ACP-like Cytochrome P450 ACP-like Cytochrome P450 ACP-like Cytochrome P450 ACP-like	LigPlot
3EJD	Download	Experimental	e3ejdB1 e3ejdA1 e3ejdD1 e3ejdC1 e3ejdF1 e3ejdE1 e3ejdH1 e3ejdG1	Cytochrome P450 ACP-like Cytochrome P450 ACP-like Cytochrome P450 ACP-like Cytochrome P450 ACP-like	LigPlot