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 |
---|---|---|---|---|---|
1GMO | Download | Experimental | e1gmoA1 e1gmoC2 e1gmoB1 e1gmoC1 e1gmoD1 e1gmoE1 e1gmoF1 e1gmoG1 e1gmoH1 | Kringle-like Hairpin loop containing domain-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like Kringle-like | LigPlot |
1GMN | Download | Experimental | e1gmnA1 e1gmnB1 | Kringle-like Kringle-like | LigPlot |
7OCM | Download | Experimental | e7ocmA1 | Kringle-like | LigPlot |
3HN4 | Download | Experimental | e3hn4A2 | Kringle-like | LigPlot |
1GP9 | Download | Experimental | e1gp9A1 e1gp9B1 e1gp9B2 e1gp9C1 e1gp9D1 | Kringle-like Kringle-like Hairpin loop containing domain-like Kringle-like Kringle-like | LigPlot |
5COE | Download | Experimental | e5coeB2 | Kringle-like | LigPlot |
3MKP | Download | Experimental | e3mkpA1 e3mkpB1 e3mkpC1 e3mkpD1 | Kringle-like Kringle-like Kringle-like Kringle-like | LigPlot |
1BHT | Download | Experimental | e1bhtA1 e1bhtB1 | Kringle-like Kringle-like | LigPlot |