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 |
---|---|---|---|---|---|
5D8G | Download | Experimental | e5d8gA1 e5d8gA2 | C-terminal domain in some PLP-dependent transferases PLP-dependent transferases | LigPlot |
2OQX | Download | Experimental | e2oqxA2 e2oqxA3 | C-terminal domain in some PLP-dependent transferases PLP-dependent transferases | LigPlot |