Ligand name: CROTONYL COENZYME A
PDB ligand accession: COO
DrugBank: n/a
PubChem: 92856
ChEMBL: n/a
InChI Key: KFWWCMJSYSSPSK-XBTRWLRFSA-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
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 P77455

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JQO	Download	Experimental	e6jqoA1 e6jqoA2 e6jqoA3 e6jqoB1 e6jqoA1 e6jqoB1 e6jqoB2 e6jqoB3 e6jqoC1 e6jqoC2 e6jqoC3 e6jqoD1 e6jqoC1 e6jqoD1 e6jqoD2 e6jqoD3 e6jqoE1 e6jqoE2 e6jqoE3 e6jqoF1 e6jqoE1 e6jqoF1 e6jqoF2 e6jqoF3	ALDH-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like ALDH-like ALDH-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like ALDH-like ALDH-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like ALDH-like ALDH-like ALDH-like ALDH-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot