Ligand name: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE
PDB ligand accession: TP9
DrugBank: n/a
PubChem: 49867753
ChEMBL: n/a
InChI Key: WTQDUFKDQLXDPH-YFHOEESVSA-L
SMILES: Cc1ncc(c(n1)N)CNC(=C(CCOP(=O)([O-])OP(=O)(O)[O-])S)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organic oxoanionic compounds
      • Subclass: Organic pyrophosphates

List of PDB structures and/or AlphaFold models with target protein P17597

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7U1D	Download	Experimental	e7u1dA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5WJ1	Download	Experimental	e5wj1A2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5K3S	Download	Experimental	e5k3sA2	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot
5K2O	Download	Experimental	e5k2oA1	Thiamin diphosphate-binding fold (THDP-binding)	LigPlot