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 |
---|---|---|---|---|---|
4EMQ | Download | Experimental | e4emqC2 e4emqA1 e4emqB2 e4emqC2 e4emqD2 e4emqE2 e4emqF2 | GFP-like GFP-like GFP-like GFP-like GFP-like GFP-like GFP-like | LigPlot |
4HQ8 | Download | Experimental | e4hq8A1 e4hq8C1 e4hq8F1 e4hq8D1 e4hq8E1 | GFP-like GFP-like GFP-like GFP-like GFP-like | LigPlot |