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 |
---|---|---|---|---|---|
1TJJ | Download | Experimental | e1tjjA1 e1tjjC1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
1G13 | Download | Experimental | e1g13A1 | Immunoglobulin-like beta-sandwich | LigPlot |
2AG2 | Download | Experimental | e2ag2A1 e2ag2C1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
1PU5 | Download | Experimental | e1pu5A1 e1pu5C1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |