Ligand name: (2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(3R,4R)-4-({[(S)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (S)-phosphate
PDB ligand accession: TXN
DrugBank: n/a
PubChem: 49867769;137350070;
ChEMBL: n/a
InChI Key: XYVXLTGAFUOPLT-UTNLYJRASA-N
SMILES: COC1C(C(OC1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OC4CN(CC4COP(=O)(O)OC5C(OC(C5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)OP(=O)(O)OCCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Ribonucleoside 3'-phosphates
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q2QEH4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HIV	Download	Experimental	e3hivA1 e3hivB1	RIP/Polo-box domain RIP/Polo-box domain	LigPlot