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 |
---|---|---|---|---|---|
2A3U | Download | Experimental | e2a3uA1 e2a3uA2 | alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like | LigPlot |
2A49 | Download | Experimental | e2a49A1 e2a49A2 | alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like | LigPlot |
1TDL | Download | Experimental | e1tdlA1 e1tdlA2 | alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like | LigPlot |