Ligand name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
PDB ligand accession: 0TT
DrugBank: n/a
PubChem: 57383483
ChEMBL: n/a
InChI Key: WCJUEZCRTGBSQU-BZMYHREGSA-N
SMILES: CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)CC3=CN(C(=O)NC3=O)C4CC(C(O4)CO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Pyrimidine nucleosides
      • Subclass: Pyrimidine 2'-deoxyribonucleosides

List of PDB structures and/or AlphaFold models with target protein A4IQU1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4FHF	Download	Experimental	e4fhfA2	TIM beta/alpha-barrel	LigPlot
4FHD	Download	Experimental	e4fhdA2	TIM beta/alpha-barrel	LigPlot
4RH1	Download	Experimental	e4rh1A1	TIM beta/alpha-barrel	LigPlot