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 |
---|---|---|---|---|---|
6SJU | Download | Experimental | e6sjuF1 e6sjuH1 | cradle loop barrel cradle loop barrel | LigPlot |
6SHI | Download | Experimental | e6shiG1 e6shiA1 e6shiH1 | cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |
6SHH | Download | Experimental | e6shhG1 e6shhA1 e6shhH1 | cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |