Ligand name: 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A
PDB ligand accession: MDE
DrugBank: DB03698
PubChem: 49867291
ChEMBL: n/a
InChI Key: IJSMUHMCIYOVMM-UAQBTBCQSA-O
SMILES: CCCCCC(CC=CC(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=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 P42593

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1PS9	Download	Experimental	e1ps9A1 e1ps9A2 e1ps9A3	TIM beta/alpha-barrel Rossmann-like Rossmann-like	LigPlot