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 |
---|---|---|---|---|---|
4IUA | Download | Experimental | e4iuaA2 e4iuaE3 e4iuaE3 e4iuaB2 e4iuaC1 e4iuaD1 e4iuaD2 e4iuaA2 e4iuaE3 e4iuaE2 e4iuaF1 e4iuaF2 e4iuaG6 e4iuaH6 | Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like | LigPlot |