Ligand name: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE
PDB ligand accession: IPE
DrugBank: DB04714
PubChem: 1195
ChEMBL: CHEMBL356362
InChI Key: NUHSROFQTUXZQQ-UHFFFAOYSA-N
SMILES: CC(=C)CCOP(=O)(O)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Isoprenoid phosphates

List of PDB structures and/or AlphaFold models with target protein P62623

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KE9	Download	Experimental	e3ke9A1 e3ke9A2 e3ke9A3 e3ke9B1 e3ke9B2 e3ke9B3	NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase	LigPlot
3KEM	Download	Experimental	e3kemA1 e3kemA2 e3kemA3 e3kemB1 e3kemB2 e3kemB3	NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase NadA-like/4-hydroxy-3-methylbut-2-enyl diphosphate reductase	LigPlot