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 |
---|---|---|---|---|---|
3HXV | Download | Experimental | e3hxvA2 | Class II aaRS and biotin synthetases | LigPlot |
3HXU | Download | Experimental | e3hxuA2 | Class II aaRS and biotin synthetases | LigPlot |
3HY0 | Download | Experimental | e3hy0A2 e3hy0B2 | Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases | LigPlot |
3HXW | Download | Experimental | e3hxwA2 | Class II aaRS and biotin synthetases | LigPlot |
3HXZ | Download | Experimental | e3hxzA1 e3hxzA2 e3hxzD2 e3hxzB1 e3hxzB2 e3hxzC2 | Putative anticodon-binding domain of alanyl-tRNA synthetase (AlaRS) Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases Putative anticodon-binding domain of alanyl-tRNA synthetase (AlaRS) Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases | LigPlot |