Ligand name: (4R)-2-METHYLPENTANE-2,4-DIOL
PDB ligand accession: MRD
DrugBank: n/a
PubChem: 5288845
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-RXMQYKEDSA-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 C0SSE7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3A9R	Download	Experimental	e3a9rA2 e3a9rA3 e3a9rB3 e3a9rB2 e3a9rC3 e3a9rB1 e3a9rA4 e3a9rC2 e3a9rC1	cradle loop barrel Flavodoxin-like Flavodoxin-like Flavodoxin-like Flavodoxin-like cradle loop barrel Flavodoxin-like Flavodoxin-like cradle loop barrel	LigPlot