Ligand name: [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate
PDB ligand accession: LU9
DrugBank: n/a
PubChem: 165368571
ChEMBL: n/a
InChI Key: VKIJVPHKEVBYMR-HZMIYFLPSA-J
SMILES: CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)([O-])[O-])OC(=O)CCOC(=O)CCCCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OP(=O)([O-])[O-])NC(=O)CC(CCCCCCCCCC)O)O
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P06971

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
8A8C Download Experimental e8a8cA2
Outer membrane meander beta-barrels
LigPlot
8B14 Download Experimental e8b14A1
Outer membrane meander beta-barrels
LigPlot