Ligand name: Itaconyl coenzyme A
PDB ligand accession: NJS
DrugBank: n/a
PubChem: 145946091
ChEMBL: n/a
InChI Key: SJCVDYMGDNNJTF-BIBYKGKUSA-N
SMILES: CC(=CC(=O)SCCNC(CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)C(=O)O

ClassyFire chemical classification:

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

List of proteins that are targets for NJS

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A0A0E8UW09_NJS	A0A0E8UW09	n/a
2	A0A045IZR3_NJS	A0A045IZR3	n/a