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 P00371

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WX2	Download	Experimental	e5wx2A1 e5wx2B1 e5wx2B2 e5wx2C1 e5wx2C2 e5wx2D1 e5wx2D2 e5wx2E1 e5wx2E2 e5wx2F1 e5wx2F2 e5wx2G1 e5wx2H1 e5wx2H2	Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot
5WWV	Download	Experimental	e5wwvA1 e5wwvB1 e5wwvB2 e5wwvC1 e5wwvC2 e5wwvD1 e5wwvE2 e5wwvF1 e5wwvF2 e5wwvG1 e5wwvG2 e5wwvH1 e5wwvH2	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot