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 Q72HW2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YAH	Download	Experimental	e2yahA1	Cupredoxin-like	LigPlot
5K84	Download	Experimental	e5k84A3	Cupredoxin-like	LigPlot
5K7A	Download	Experimental	e5k7aA2	Cupredoxin-like	LigPlot
2XVB	Download	Experimental	e2xvbA8 e2xvbA9	Cupredoxin-like Cupredoxin-like	LigPlot
5JRR	Download	Experimental	e5jrrA2	Cupredoxin-like	LigPlot
5K15	Download	Experimental	e5k15A1	Cupredoxin-like	LigPlot
2YAM	Download	Experimental	e2yamA1	Cupredoxin-like	LigPlot
2XUW	Download	Experimental	e2xuwA6 e2xuwA1	Cupredoxin-like Cupredoxin-like	LigPlot
2YAQ	Download	Experimental	e2yaqA1	Cupredoxin-like	LigPlot
2XU9	Download	Experimental	e2xu9A5	Cupredoxin-like	LigPlot
2YAF	Download	Experimental	e2yafA1	Cupredoxin-like	LigPlot
5K0D	Download	Experimental	e5k0dA3	Cupredoxin-like	LigPlot
5K3K	Download	Experimental	e5k3kA1	Cupredoxin-like	LigPlot
5JX9	Download	Experimental	e5jx9A1 e5jx9A2	Cupredoxin-like Cupredoxin-like	LigPlot
2YAP	Download	Experimental	e2yapA1	Cupredoxin-like	LigPlot
2YAR	Download	Experimental	e2yarA1	Cupredoxin-like	LigPlot
5K5K	Download	Experimental	e5k5kA1	Cupredoxin-like	LigPlot
6W2K	Download	Experimental	e6w2kA3 e6w2kB1	Cupredoxin-like Cupredoxin-like	LigPlot
2YAO	Download	Experimental	e2yaoA7	Cupredoxin-like	LigPlot
2YAE	Download	Experimental	e2yaeA2	Cupredoxin-like	LigPlot