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 |
---|---|---|---|---|---|
3VQI | Download | Experimental | e3vqiA6 e3vqiD12 e3vqiA2 e3vqiB10 e3vqiB11 e3vqiE10 e3vqiE11 e3vqiE12 e3vqiB12 e3vqiE10 e3vqiE11 | Helical domain in autophagy protein 5 beta-Grasp beta-Grasp Helical domain in autophagy protein 5 beta-Grasp Helical domain in autophagy protein 5 beta-Grasp beta-Grasp beta-Grasp Helical domain in autophagy protein 5 beta-Grasp | LigPlot |