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 |
---|---|---|---|---|---|
7LOJ | Download | Experimental | e7lojA1 | Lysozyme-like | LigPlot |
7BTS | Download | Experimental | e7btsA1 e7btsA2 | Family A G protein-coupled receptor-like Lysozyme-like | LigPlot |
4S0W | Download | Experimental | e4s0wA1 e4s0wB1 | Lysozyme-like Lysozyme-like | LigPlot |
7BU6 | Download | Experimental | e7bu6A1 e7bu6A2 | Family A G protein-coupled receptor-like Lysozyme-like | LigPlot |
7BU7 | Download | Experimental | e7bu7A1 e7bu7A2 | Family A G protein-coupled receptor-like Lysozyme-like | LigPlot |