Ligand name: 3-HYDROXYBUTANOYL-COENZYME A
PDB ligand accession: 3HC
DrugBank: DB03612
PubChem: 9543037
ChEMBL: n/a
InChI Key: QHHKKMYHDBRONY-VKBDFPRVSA-N
SMILES: CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein I3VE77

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4R3U	Download	Experimental	e4r3uA1 e4r3uB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot