Ligand name: THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
PDB ligand accession: SXA
DrugBank: n/a
PubChem: 25220901
ChEMBL: n/a
InChI Key: AJFWMDFTVVFMHY-LLVKDONJSA-N
SMILES: CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P26839

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6X3C	Download	Experimental	e6x3cA1 e6x3cF1 e6x3cB1 e6x3cD1 e6x3cC1 e6x3cD1 e6x3cA1 e6x3cE1 e6x3cE1 e6x3cF1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
6X3J	Download	Experimental	e6x3jA1 e6x3jB1 e6x3jB1 e6x3jD1 e6x3jA1 e6x3jD1 e6x3jC1 e6x3jE1 e6x3jC1 e6x3jF1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot