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 |
---|---|---|---|---|---|
1YI7 | Download | Experimental | e1yi7B1 e1yi7A2 e1yi7D1 e1yi7C2 e1yi7C1 e1yi7D2 | jelly-roll beta-propeller-like jelly-roll beta-propeller-like jelly-roll beta-propeller-like | LigPlot |
1Y7B | Download | Experimental | e1y7bA2 e1y7bB1 e1y7bA1 e1y7bA2 e1y7bB2 e1y7bD1 e1y7bC2 e1y7bC1 e1y7bD2 | beta-propeller-like jelly-roll jelly-roll beta-propeller-like beta-propeller-like jelly-roll beta-propeller-like jelly-roll beta-propeller-like | LigPlot |