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 |
---|---|---|---|---|---|
7OCN | Download | Experimental | e7ocnA1 e7ocnB2 | HAD domain-related Rossmann-like | LigPlot |
7OCR | Download | Experimental | e7ocrA2 e7ocrB1 | Rossmann-like HAD domain-related | LigPlot |
7OCQ | Download | Experimental | e7ocqA2 e7ocqB1 | Rossmann-like HAD domain-related | LigPlot |
7OCP | Download | Experimental | e7ocpA1 e7ocpB2 | HAD domain-related Rossmann-like | LigPlot |
7OCU | Download | Experimental | e7ocuA1 e7ocuB2 e7ocuB3 | HAD domain-related Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like | LigPlot |
7OCT | Download | Experimental | e7octA2 e7octB1 | Rossmann-like HAD domain-related | LigPlot |
7OCS | Download | Experimental | e7ocsB1 | HAD domain-related | LigPlot |