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 |
---|---|---|---|---|---|
5FPU | Download | Experimental | e5fpuA2 | jelly-roll | LigPlot |
5A3T | Download | Experimental | e5a3tA1 | jelly-roll | LigPlot |
5A3W | Download | Experimental | e5a3wA1 | jelly-roll | LigPlot |
5A3P | Download | Experimental | e5a3pA1 | jelly-roll | LigPlot |
5A3N | Download | Experimental | e5a3nA3 | jelly-roll | LigPlot |
5A1F | Download | Experimental | e5a1fA1 e5a1fA4 | jelly-roll C-terminal helical domain in Jumonji domain-containing histone demethylases | LigPlot |
5FV3 | Download | Experimental | e5fv3A1 | jelly-roll | LigPlot |