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 |
---|---|---|---|---|---|
2F27 | Download | Experimental | e2f27A1 e2f27B1 | beta-propeller-like beta-propeller-like | LigPlot |
2F29 | Download | Experimental | e2f29A1 e2f29B1 | beta-propeller-like beta-propeller-like | LigPlot |
2F25 | Download | Experimental | e2f25A1 e2f25B1 | beta-propeller-like beta-propeller-like | LigPlot |
1VCU | Download | Experimental | e1vcuA1 e1vcuB1 | beta-propeller-like beta-propeller-like | LigPlot |