Ligand name: (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
PDB ligand accession: TQP
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: UJDWKFAFGYHSFM-HMSDFHDVSA-N
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O)OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)C)O)O
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 Q9ALS9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5U21	Download	Experimental	e5u21A1 e5u21A2 e5u21B2 e5u21A2 e5u21B1 e5u21B2 e5u21C1 e5u21C2 e5u21D1 e5u21C2 e5u21D1 e5u21D2	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases	LigPlot
5U23	Download	Experimental	e5u23C1 e5u23C2 e5u23D1 e5u23C2 e5u23D1 e5u23D2 e5u23A1 e5u23A2 e5u23B1 e5u23A2 e5u23B1 e5u23B2	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases	LigPlot