Ligand name: N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
PDB ligand accession: 44R
DrugBank: n/a
PubChem: 91844447
ChEMBL: CHEMBL3614063
InChI Key: HEOBKFIXAMLSMW-OBJOEFQTSA-N
SMILES: c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCCC3C4C(CS3)NC(=O)N4)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
4XU3	Download	Experimental	e4xu3A1 e4xu3A2 e4xu3B1 e4xu3B2	SH3 Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases SH3	LigPlot