Ligand name: Isovaleryl-coenzyme A
PDB ligand accession: IVC
DrugBank: n/a
PubChem: 165435
ChEMBL: n/a
InChI Key: UYVZIWWBJMYRCD-ZMHDXICWSA-N
SMILES: CC(C)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
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 Q1D4I5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5K7Z	Download	Experimental	e5k7zA1 e5k7zB1 e5k7zB2 e5k7zA1 e5k7zA2 e5k7zB2 e5k7zC2 e5k7zD1 e5k7zD2 e5k7zC1 e5k7zC2 e5k7zD1	Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain	LigPlot
5K7H	Download	Experimental	e5k7hA2 e5k7hB1 e5k7hB2 e5k7hA1 e5k7hA2 e5k7hB1	Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain HTH HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain	LigPlot