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 |
---|---|---|---|---|---|
7LA5 | Download | Experimental | e7la5A1 e7la5B1 | Ntn/PP2C Ntn/PP2C | LigPlot |
7LD9 | Download | Experimental | e7ld9A1 e7ld9A1 e7ld9B1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |