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 |
|---|---|---|---|---|---|
| 4RE4 | Download | Experimental | e4re4A1 | TIM beta/alpha-barrel | LigPlot |
| 4JIE | Download | Experimental | e4jieA1 | TIM beta/alpha-barrel | LigPlot |
| 4RE3 | Download | Experimental | e4re3A1 | TIM beta/alpha-barrel | LigPlot |
| 4JHO | Download | Experimental | e4jhoA1 | TIM beta/alpha-barrel | LigPlot |
| 4RE2 | Download | Experimental | e4re2A1 | TIM beta/alpha-barrel | LigPlot |