Ligand name: isopentyl-Coenzyme A
PDB ligand accession: A1S
DrugBank: n/a
PubChem: 129626299
ChEMBL: n/a
InChI Key: LBQVQRQFDUVUCX-MJQNIGQHSA-N
SMILES: CC(C)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: S-alkyl-CoAs
      • Subclass: None

List of proteins that are targets for A1S

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A0A0N0C224_A1S	A0A0N0C224	n/a