Ligand name: [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
PDB ligand accession: KGJ
DrugBank: n/a
PubChem: 138753296
ChEMBL: n/a
InChI Key: NCNYDGGYTDSUKJ-CUDSEXNASA-N
SMILES: CC(=[N+]([O-])[O-])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
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
6N94	Download	Experimental	e6n94A1 e6n94B1 e6n94B1 e6n94C1 e6n94D1 e6n94D1 e6n94E1 e6n94E1 e6n94F1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot