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 |
---|---|---|---|---|---|
4XKR | Download | Experimental | e4xkrA1 e4xkrA2 | Alpha-beta plaits Periplasmic binding protein-like II | LigPlot |
4XKP | Download | Experimental | e4xkpA2 e4xkpA3 | Periplasmic binding protein-like II Alpha-beta plaits | LigPlot |
4XKQ | Download | Experimental | e4xkqA1 e4xkqA3 | Periplasmic binding protein-like II Alpha-beta plaits | LigPlot |
4XKN | Download | Experimental | e4xknA1 e4xknA2 | Alpha-beta plaits Periplasmic binding protein-like II | LigPlot |