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 A0A0E4G455

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5NB4	Download	Experimental	e5nb4B1 e5nb4N1 e5nb4A1 e5nb4M1 e5nb4C1 e5nb4O1 e5nb4D1 e5nb4P1 e5nb4E1 e5nb4Q1 e5nb4F1 e5nb4R1 e5nb4G1 e5nb4S1 e5nb4I1 e5nb4U1 e5nb4K1 e5nb4W1 e5nb4L1 e5nb4X1	Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like	LigPlot
5NB3	Download	Experimental	e5nb3A1 e5nb3M1 e5nb3N1 e5nb3C1 e5nb3O1 e5nb3D1 e5nb3P1 e5nb3E1 e5nb3Q1 e5nb3F1 e5nb3R1 e5nb3G1 e5nb3S1 e5nb3I1 e5nb3U1 e5nb3W1 e5nb3L1 e5nb3X1	Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like Globin-like	LigPlot