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 |
---|---|---|---|---|---|
3ZNL | Download | Experimental | e3znlA1 e3znlC1 e3znlE1 | jelly-roll jelly-roll jelly-roll | LigPlot |
3ZNK | Download | Experimental | e3znkA1 e3znkC1 e3znkE1 | jelly-roll jelly-roll jelly-roll | LigPlot |
4BGW | Download | Experimental | e4bgwA1 | jelly-roll | LigPlot |
4BGX | Download | Experimental | e4bgxA1 | jelly-roll | LigPlot |
4BGY | Download | Experimental | e4bgyA1 | jelly-roll | LigPlot |
3ZNM | Download | Experimental | e3znmA1 e3znmC1 e3znmE1 | jelly-roll jelly-roll jelly-roll | LigPlot |