Ligand name: SINAPOYL COENZYME A
PDB ligand accession: SPF
DrugBank: DB03179
PubChem: 131704232
ChEMBL: n/a
InChI Key: HJGDVDUGXUSOGA-ADTMLPBESA-N
SMILES: CC1(C(C1(C(=O)NCCC(=O)NCCSC(=O)C=Cc2cc(c(c(c2)OC)O)OC)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C
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 Q40313

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1SUS	Download	Experimental	e1susA1	Rossmann-like	LigPlot