Ligand name: 1,2-ETHANEDIOL
PDB ligand accession: EDO
DrugBank: n/a
PubChem: 174
ChEMBL: CHEMBL457299
InChI Key: LYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES: C(CO)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 I9SUA3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6T7G	Download	Experimental	e6t7gAAA1 e6t7gDDD1 e6t7gCCC1 e6t7gBBB1 e6t7gFFF1 e6t7gFFF2 e6t7gEEE3	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like Glycosyl hydrolase domain-like	LigPlot
6T6G	Download	Experimental	e6t6gAAA1 e6t6gDDD1 e6t6gCCC1 e6t6gBBB1 e6t6gFFF1 e6t6gEEE1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
6T5O	Download	Experimental	e6t5oAAA1 e6t5oDDD1 e6t5oDDD2 e6t5oCCC1 e6t5oBBB2 e6t5oFFF1 e6t5oFFF2 e6t5oEEE1	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel	LigPlot
7OMI	Download	Experimental	e7omiAAA1 e7omiCCC2 e7omiBBB1 e7omiCCC1 e7omiDDD1 e7omiDDD2 e7omiEEE1 e7omiFFF1	TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
7OMS	Download	Experimental	e7omsAAA1 e7omsDDD1 e7omsDDD2 e7omsCCC1 e7omsCCC2 e7omsBBB2 e7omsFFF1 e7omsEEE1 e7omsEEE2	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like	LigPlot