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 A5FBI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JR6	Download	Experimental	e6jr6A1 e6jr6B1 e6jr6C1 e6jr6D1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
6JR7	Download	Experimental	e6jr7A1 e6jr7B1 e6jr7C1 e6jr7D1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
6JR8	Download	Experimental	e6jr8A1 e6jr8B1 e6jr8B3 e6jr8C1 e6jr8B1 e6jr8C1 e6jr8D1 e6jr8D3	TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like	LigPlot