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 |
---|---|---|---|---|---|
4GPQ | Download | Experimental | e4gpqA1 | Repetitive alpha hairpins | LigPlot |
4X5Y | Download | Experimental | e4x5yA2 | Repetitive alpha hairpins | LigPlot |
5DDC | Download | Experimental | e5ddcA1 | Cysteine proteinases-like | LigPlot |
4GQ4 | Download | Experimental | e4gq4A2 | Cysteine proteinases-like | LigPlot |