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 |
|---|---|---|---|---|---|
| 5N6B | Download | Experimental | e5n6bA2 e5n6bB1 e5n6bD1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich MHC antigen-recognition domain | LigPlot |
| 4JFP | Download | Experimental | e4jfpD2 e4jfpE1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 4JFF | Download | Experimental | e4jffA2 | MHC antigen-recognition domain | LigPlot |
| 6EQB | Download | Experimental | e6eqbA1 | MHC antigen-recognition domain | LigPlot |