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 |
---|---|---|---|---|---|
1HR8 | Download | Experimental | e1hr8E1 e1hr8A1 e1hr8G1 | LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain | LigPlot |
1HR6 | Download | Experimental | e1hr6A1 e1hr6E1 e1hr6G1 | LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain | LigPlot |
1HR9 | Download | Experimental | e1hr9E1 e1hr9A1 e1hr9G1 | LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain | LigPlot |