Ligand name: (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
PDB ligand accession: A4Y
DrugBank: n/a
PubChem: 134686785
ChEMBL: n/a
InChI Key: AMCOUTJLRZHMEE-PLEBXABZSA-N
SMILES: Cc1ncc2c(n1)NC3(N(C2)C(C(S3)CCOP(=O)(O)OP(=O)(O)O)C)C(C)(C(C)(C(=O)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 P27696

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WDG	Download	Experimental	e5wdgA1 e5wdgA2 e5wdgB1 e5wdgB3	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