Ligand name: (2S)-sulfonatepropionyl-amino(dethia)-CoA
PDB ligand accession: YZS
DrugBank: n/a
PubChem: 137700790
ChEMBL: n/a
InChI Key: IUFNAUQYWOGJPI-CLSLWNEHSA-N
SMILES: CC(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein P52045

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6N97	Download	Experimental	e6n97A1 e6n97B1 e6n97B1 e6n97C1 e6n97D1 e6n97D1 e6n97E1 e6n97E1 e6n97F1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot