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 |
---|---|---|---|---|---|
7XII | Download | Experimental | e7xiiA2 e7xiiD2 | Rossmann-like Rossmann-like | LigPlot |
7XIG | Download | Experimental | e7xigA1 e7xigD2 e7xigF1 e7xigG2 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |