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 |
---|---|---|---|---|---|
1OT2 | Download | Experimental | e1ot2A1 e1ot2A2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
1PEZ | Download | Experimental | e1pezA1 e1pezA2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
1OT1 | Download | Experimental | e1ot1A1 e1ot1A2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |