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 |
---|---|---|---|---|---|
2Q4T | Download | Experimental | e2q4tA1 e2q4tB1 | HAD domain-related HAD domain-related | LigPlot |
2G0A | Download | Experimental | e2g0aA1 e2g0aB1 | HAD domain-related HAD domain-related | LigPlot |
2BDU | Download | Experimental | e2bduA1 e2bduB1 | HAD domain-related HAD domain-related | LigPlot |
4KX5 | Download | Experimental | e4kx5A1 | HAD domain-related | LigPlot |
4KX3 | Download | Experimental | e4kx3A1 | HAD domain-related | LigPlot |