Ligand name: 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
PDB ligand accession: 44M
DrugBank: n/a
PubChem: 122189343
ChEMBL: CHEMBL3614055
InChI Key: ADVDUOWDPHQFNE-FALSPVJTSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)N=[N+]=[N-])N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Biotin and derivatives
      • Subclass: None

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
4XTW	Download	Experimental	e4xtwA1 e4xtwB1	Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot