Ligand name: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine
PDB ligand accession: 44N
DrugBank: n/a
PubChem: 91844444
ChEMBL: CHEMBL3614069
InChI Key: BGUXFAITPCEERX-BKJQVYKZSA-N
SMILES: CC1(C(C(OC1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O
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
4XU0	Download	Experimental	e4xu0A1 e4xu0A2 e4xu0B2	SH3 Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot