PDB ligand accession: EPE
DrugBank: DB16872
PubChem: 23830;23831;3275884;
ChEMBL:
InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 6FTA | Download | Experimental | e6ftaA1 e6ftaB1 e6ftaC1 e6ftaD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 3SL6 | Download | Experimental | e3sl6C1 | PDEase-like | LigPlot |
| 7AAG | Download | Experimental | e7aagA1 e7aagB1 e7aagC1 e7aagD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6FT0 | Download | Experimental | e6ft0A1 e6ft0B1 e6ft0C1 e6ft0D1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 5LBO | Download | Experimental | e5lboB1 e5lboC1 e5lboC1 | PDEase-like PDEase-like PDEase-like | LigPlot |
| 6FDI | Download | Experimental | e6fdiB1 e6fdiC1 e6fdiC1 | PDEase-like PDEase-like PDEase-like | LigPlot |
| 3SL4 | Download | Experimental | e3sl4B1 e3sl4C1 | PDEase-like PDEase-like | LigPlot |
| 6FTW | Download | Experimental | e6ftwA1 e6ftwB1 e6ftwC1 e6ftwD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6FE7 | Download | Experimental | e6fe7A1 e6fe7B1 e6fe7C1 e6fe7D1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6FW3 | Download | Experimental | e6fw3A1 e6fw3B1 e6fw3C1 e6fw3D1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6FET | Download | Experimental | e6fetA1 e6fetB1 e6fetC1 e6fetD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6RCW | Download | Experimental | e6rcwB1 e6rcwC1 e6rcwC1 | PDEase-like PDEase-like PDEase-like | LigPlot |
| 6HWO | Download | Experimental | e6hwoA1 e6hwoB1 e6hwoC1 e6hwoD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 3SL3 | Download | Experimental | e3sl3C1 | PDEase-like | LigPlot |
| 7AB9 | Download | Experimental | e7ab9C1 e7ab9D1 | PDEase-like PDEase-like | LigPlot |
| 4OGB | Download | Experimental | e4ogbC1 | PDEase-like | LigPlot |
| 6IBF | Download | Experimental | e6ibfA1 e6ibfB1 e6ibfC1 e6ibfD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 7ABE | Download | Experimental | e7abeA1 e7abeB1 e7abeC1 e7abeD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6FEB | Download | Experimental | e6febA1 e6febB1 | PDEase-like PDEase-like | LigPlot |
| 7A8Q | Download | Experimental | e7a8qA1 e7a8qB1 e7a8qC1 e7a8qC1 e7a8qD1 | PDEase-like PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 6IAG | Download | Experimental | e6iagB1 e6iagC1 e6iagC1 e6iagD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 7ABD | Download | Experimental | e7abdA1 e7abdB1 e7abdC1 e7abdD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 7A9V | Download | Experimental | e7a9vA1 e7a9vC1 e7a9vD1 | PDEase-like PDEase-like PDEase-like | LigPlot |
| 3IAD | Download | Experimental | e3iadA1 e3iadB1 e3iadC1 e3iadD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 7ABJ | Download | Experimental | e7abjA1 e7abjB1 e7abjC1 e7abjD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
| 3SL5 | Download | Experimental | e3sl5C1 | PDEase-like | LigPlot |