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 |
---|---|---|---|---|---|
4K7J | Download | Experimental | e4k7jA1 e4k7jB1 | Flavodoxin-like Flavodoxin-like | LigPlot |
4K3U | Download | Experimental | e4k3uA1 e4k3uA2 e4k3uB1 e4k3uB2 | Flavodoxin-like jelly-roll Flavodoxin-like jelly-roll | LigPlot |