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 |
---|---|---|---|---|---|
2YP5 | Download | Experimental | e2yp5A2 e2yp5A3 | jelly-roll Hemagglutinin HA2 chain | LigPlot |
2YP4 | Download | Experimental | e2yp4A1 | jelly-roll | LigPlot |
2YP2 | Download | Experimental | e2yp2A2 | jelly-roll | LigPlot |
2YP3 | Download | Experimental | e2yp3A1 | jelly-roll | LigPlot |