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 |
---|---|---|---|---|---|
2X90 | Download | Experimental | e2x90A1 | Zincin-like | LigPlot |
2X91 | Download | Experimental | e2x91A1 | Zincin-like | LigPlot |
2XHM | Download | Experimental | e2xhmA1 | Zincin-like | LigPlot |
2X95 | Download | Experimental | e2x95A1 | Zincin-like | LigPlot |
2X92 | Download | Experimental | e2x92A1 | Zincin-like | LigPlot |
2X94 | Download | Experimental | e2x94A1 | Zincin-like | LigPlot |
2X96 | Download | Experimental | e2x96A1 | Zincin-like | LigPlot |
2X93 | Download | Experimental | e2x93A1 | Zincin-like | LigPlot |