Ligand name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
PDB ligand accession: YE2
DrugBank: n/a
PubChem: 137350189
ChEMBL: n/a
InChI Key: LMMCTIXJVGWLEK-NUSWKBOXSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=Cc4cc(cc(c4)O)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 Q8KLK7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KAJ	Download	Experimental	e5kajA1 e5kajB1 e5kajC1 e5kajL1 e5kajD1 e5kajE1 e5kajF1 e5kajI1 e5kajG1 e5kajH1 e5kajJ1 e5kajK1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot