Ligand name: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
PDB ligand accession: GBO
DrugBank: n/a
PubChem: 25141075
ChEMBL: CHEMBL1229267
InChI Key: XZJFCDBLIMGOSX-VRLLXNLQSA-N
SMILES: CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2
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 Q04631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EUV	Download	Experimental	e3euvA1 e3euvB1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
3EU5	Download	Experimental	e3eu5A1 e3eu5B1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot