Ligand name: BETA-MERCAPTOETHANOL
PDB ligand accession: BME
DrugBank: DB03345
PubChem: 1567
ChEMBL: CHEMBL254951
InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N
SMILES: C(CS)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thiols
      • Subclass: Alkylthiols

List of PDB structures and/or AlphaFold models with target protein Q9CX32

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2HE8	Download	Experimental	e2he8A1 e2he8B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
2HEJ	Download	Experimental	e2hejA1 e2hejB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
2IPF	Download	Experimental	e2ipfA1 e2ipfB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
2HE5	Download	Experimental	e2he5C1	TIM beta/alpha-barrel	LigPlot