Ligand name: DEPHOSPHO COENZYME A
PDB ligand accession: COD
DrugBank: DB03170
PubChem: 444485
ChEMBL: n/a
InChI Key: KDTSHFARGAKYJN-IBOSZNHHSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(C(=O)NCCC(=O)NCCS)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 B1MDL6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5O08	Download	Experimental	e5o08A1 e5o08C1 e5o08A1 e5o08B1 e5o08B1 e5o08C1	HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like HUP domain-like	LigPlot