Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER
PDB ligand accession: TG1
DrugBank: n/a
PubChem: 446378
ChEMBL: CHEMBL96926
InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N
SMILES: CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P04191

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
5ZMW Download Experimental e5zmwA3
 Calcium ATPase transmembrane domain-related
LigPlot
2EAR Download Experimental e2earA2
 Calcium ATPase transmembrane domain-related
LigPlot
5A3Q Download Experimental e5a3qA4
 Calcium ATPase transmembrane domain-related
LigPlot
1WPG Download Experimental e1wpgA6
e1wpgB6
e1wpgC6
e1wpgD6
 Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
LigPlot
1IWO Download Experimental e1iwoA6
e1iwoB6
 Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
LigPlot
3AR3 Download Experimental e3ar3A2
 Calcium ATPase transmembrane domain-related
LigPlot
3AR4 Download Experimental e3ar4A2
 Calcium ATPase transmembrane domain-related
LigPlot
3AR5 Download Experimental e3ar5A2
 Calcium ATPase transmembrane domain-related
LigPlot
3N5K Download Experimental e3n5kA2
e3n5kB2
 Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
LigPlot
2C8K Download Experimental e2c8kA2
 Calcium ATPase transmembrane domain-related
LigPlot
2DQS Download Experimental e2dqsA2
 Calcium ATPase transmembrane domain-related
LigPlot
3AR7 Download Experimental e3ar7A2
 Calcium ATPase transmembrane domain-related
LigPlot
2C88 Download Experimental e2c88A2
 Calcium ATPase transmembrane domain-related
LigPlot
2C8L Download Experimental e2c8lA2
 Calcium ATPase transmembrane domain-related
LigPlot
5XA9 Download Experimental e5xa9A3
 Calcium ATPase transmembrane domain-related
LigPlot
3AR9 Download Experimental e3ar9A2
 Calcium ATPase transmembrane domain-related
LigPlot
2ZBF Download Experimental e2zbfA6
 Calcium ATPase transmembrane domain-related
LigPlot
5XAA Download Experimental e5xaaA3
 Calcium ATPase transmembrane domain-related
LigPlot
5XAB Download Experimental e5xabA4
 Calcium ATPase transmembrane domain-related
LigPlot
3AR6 Download Experimental e3ar6A2
 Calcium ATPase transmembrane domain-related
LigPlot
3AR8 Download Experimental e3ar8A2
 Calcium ATPase transmembrane domain-related
LigPlot
2EAT Download Experimental e2eatA2
 Calcium ATPase transmembrane domain-related
LigPlot
6YSO Download Experimental e6ysoA2
e6ysoB3
 Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
LigPlot
5ZMV Download Experimental e5zmvA4
 Calcium ATPase transmembrane domain-related
LigPlot
1XP5 Download Experimental e1xp5A6
 Calcium ATPase transmembrane domain-related
LigPlot
5A3S Download Experimental e5a3sA3
e5a3sB1
 Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
LigPlot
2AGV Download Experimental e2agvA2
e2agvB2
 Calcium ATPase transmembrane domain-related
Calcium ATPase transmembrane domain-related
LigPlot
2ZBG Download Experimental e2zbgA6
 Calcium ATPase transmembrane domain-related
LigPlot