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 |
---|---|---|---|---|---|
5DHL | Download | Experimental | e5dhlA1 e5dhlA2 e5dhlB1 e5dhlA2 e5dhlB2 | Membrane attack complex/perforin (MACPF) and cholesterol-dependent cytolysin (CDC) domains Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Membrane attack complex/perforin (MACPF) and cholesterol-dependent cytolysin (CDC) domains | LigPlot |
5DIM | Download | Experimental | e5dimA1 | Membrane attack complex/perforin (MACPF) and cholesterol-dependent cytolysin (CDC) domains | LigPlot |