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 |
---|---|---|---|---|---|
4Y0E | Download | Experimental | e4y0eA1 e4y0eB1 e4y0eC1 e4y0eD1 e4y0eE1 e4y0eF1 e4y0eG1 e4y0eH1 | jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |