Ligand name: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid
PDB ligand accession: MJZ
DrugBank: n/a
PubChem: 45281255
ChEMBL: n/a
InChI Key: RRAQYLXLCYIZBB-HHKCBAECSA-N
SMILES: CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Pyrimidine nucleotides
      • Subclass: Pyrimidine nucleotide sugars

List of PDB structures and/or AlphaFold models with target protein A9IH93

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3MQH	Download	Experimental	e3mqhA1 e3mqhC1 e3mqhA1 e3mqhB1 e3mqhB1 e3mqhC1 e3mqhD1 e3mqhF1 e3mqhD1 e3mqhE1 e3mqhE1 e3mqhF1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot