Ligand name: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
PDB ligand accession: R1T
DrugBank: n/a
PubChem: 16758219
ChEMBL: n/a
InChI Key: ORVRYSKZCUVOLA-SECBINFHSA-N
SMILES: Cc1c(sc(c1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)(O)OP(=O)(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 P21874

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DUF	Download	Experimental	e3dufD4 e3dufA1 e3dufB4 e3dufC1 e3dufH4 e3dufE1 e3dufF4 e3dufG1	Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding)	LigPlot