Ligand name: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine
PDB ligand accession: 594
DrugBank: n/a
PubChem: 91844443
ChEMBL: CHEMBL3614068
InChI Key: XTTQQKAKULCXCM-ROPJLRCXSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)F)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein A0A045H8W3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XTZ	Download	Experimental	e4xtzA1 e4xtzB2	Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot