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 |
---|---|---|---|---|---|
6J65 | Download | Experimental | e6j65B1 e6j65E1 | HIT-like HIT-like | LigPlot |
4EQG | Download | Experimental | e4eqgB2 | HIT-like | LigPlot |
4EQE | Download | Experimental | e4eqeB2 | HIT-like | LigPlot |
5ED3 | Download | Experimental | e5ed3B1 | HIT-like | LigPlot |
5ED6 | Download | Experimental | e5ed6B1 | HIT-like | LigPlot |
4EQH | Download | Experimental | e4eqhB2 | HIT-like | LigPlot |