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 |
---|---|---|---|---|---|
5FH1 | Download | Experimental | e5fh1A1 e5fh1A2 | P-loop domains-like P-loop domains-like | LigPlot |
3DTB | Download | Experimental | e3dtbA2 | P-loop domains-like | LigPlot |
5FH0 | Download | Experimental | e5fh0A1 e5fh0A2 | P-loop domains-like P-loop domains-like | LigPlot |
5FH2 | Download | Experimental | e5fh2A1 e5fh2A2 | P-loop domains-like P-loop domains-like | LigPlot |