Ligand name: [(2S,6R)-6-(6-amino-9H-purin-9-yl)morpholin-2-yl]methyl {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate
PDB ligand accession: 44O
DrugBank: n/a
PubChem: 91844445
ChEMBL: CHEMBL3614083
InChI Key: IFZKEQZLBVWVDE-RDUHTLEXSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3CNCC(O3)COS(=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)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
4XU1	Download	Experimental	e4xu1A1 e4xu1A2 e4xu1B2	SH3 Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot