Ligand name: CARDIOLIPIN
PDB ligand accession: CDL
DrugBank: DB03429
PubChem: 5287898
ChEMBL: n/a
InChI Key: XVTUQDWPJJBEHJ-KZCWQMDCSA-L
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Glycerophospholipids
      • Subclass: Glycerophosphoglycerophosphoglycerols

List of PDB structures and/or AlphaFold models with target protein S5U3V2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RFR	Download	Experimental	e6rfrE1 e6rfr11 e6rfr31 e6rfr11 e6rfr21 e6rfr61 e6rfr31 e6rfrh1 e6rfrD1 e6rfrI1 e6rfr11 e6rfr11 e6rfr21 e6rfr31	Rossmann-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit J NADH-quinone oxidoreductase subunit A Mitochondrial complex I, B17.2 subunit Mitochondrial complex I, MWFE subunit 4Fe-4S ferredoxin Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A	LigPlot
6RFQ	Download	Experimental	e6rfq11 e6rfq21 e6rfq61 e6rfq31	Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit J NADH-quinone oxidoreductase subunit A	LigPlot
7ZKP	Download	Experimental	e7zkp11 e7zkp21	Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like	LigPlot
7O6Y	Download	Experimental	e7o6y11 e7o6y31 e7o6yE1 e7o6y11 e7o6y21 e7o6y31 e7o6y61 e7o6yI1 e7o6y11 e7o6yD1 e7o6yh1	Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A Rossmann-like Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A NADH-quinone oxidoreductase subunit J 4Fe-4S ferredoxin Sodium/proton antiporter subunits-like Mitochondrial complex I, MWFE subunit Mitochondrial complex I, B17.2 subunit	LigPlot
6Y79	Download	Experimental	e6y7911 e6y7921 e6y7961 e6y7931 e6y79D1 e6y79I1 e6y79h1 e6y7911	Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit J NADH-quinone oxidoreductase subunit A Mitochondrial complex I, MWFE subunit 4Fe-4S ferredoxin Mitochondrial complex I, B17.2 subunit Sodium/proton antiporter subunits-like	LigPlot
7B0N	Download	Experimental	e7b0nH1 e7b0nN1 e7b0nA1 e7b0nJ1	Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A NADH-quinone oxidoreductase subunit J	LigPlot
6YJ4	Download	Experimental	e6yj4H1 e6yj4N1 e6yj4J1 e6yj4A1	Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit J NADH-quinone oxidoreductase subunit A	LigPlot
7O71	Download	Experimental	e7o7111 e7o7121 e7o7131 e7o7111 e7o7131 e7o71E1 e7o7111 e7o7121 e7o7131 e7o7161 e7o71I1 e7o7111 e7o71D1 e7o71h1	Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A Rossmann-like Sodium/proton antiporter subunits-like Sodium/proton antiporter subunits-like NADH-quinone oxidoreductase subunit A NADH-quinone oxidoreductase subunit J 4Fe-4S ferredoxin Sodium/proton antiporter subunits-like Mitochondrial complex I, MWFE subunit Mitochondrial complex I, B17.2 subunit	LigPlot