Ligand name: BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE
PDB ligand accession: CPJ
DrugBank: DB07579
PubChem: n/a
ChEMBL: n/a
InChI Key: HAVIIPIIAVTNFO-GXZHHNFCSA-N
SMILES: CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P02743

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2A3W	Download	Experimental	e2a3wJ1 e2a3wA1 e2a3wI1 e2a3wB1 e2a3wC1 e2a3wH1 e2a3wD1 e2a3wG1 e2a3wE1 e2a3wF1 e2a3wL1 e2a3wT1 e2a3wS1 e2a3wM1 e2a3wR1 e2a3wN1 e2a3wP1 e2a3wK1 e2a3wO1 e2a3wQ1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
2A3Y	Download	Experimental	e2a3yA1 e2a3yB1 e2a3yC1 e2a3yD1 e2a3yE1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot