Ligand name: (4S)-2-METHYL-2,4-PENTANEDIOL
PDB ligand accession: MPD
DrugBank: DB03564
PubChem: 5288834
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES: CC(CC(C)(C)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein Q8TF76

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HTB	Download	Experimental	e5htbA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2VUW	Download	Experimental	e2vuwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6Z5D	Download	Experimental	e6z5dA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7AVQ	Download	Experimental	e7avqA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5HTC	Download	Experimental	e5htcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6Z57	Download	Experimental	e6z57A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4QTC	Download	Experimental	e4qtcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6Z5E	Download	Experimental	e6z5eA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6G35	Download	Experimental	e6g35A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6Z58	Download	Experimental	e6z58A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot