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 |
---|---|---|---|---|---|
4E6M | Download | Experimental | e4e6mB5 e4e6mA1 e4e6mD6 e4e6mC5 e4e6mD5 e4e6mC6 e4e6mE5 e4e6mE6 e4e6mF5 e4e6mH6 e4e6mG5 e4e6mG6 e4e6mH5 e4e6mG6 | Enolase-N/ribosomal protein TIM beta/alpha-barrel TIM beta/alpha-barrel Enolase-N/ribosomal protein Enolase-N/ribosomal protein TIM beta/alpha-barrel Enolase-N/ribosomal protein TIM beta/alpha-barrel Enolase-N/ribosomal protein TIM beta/alpha-barrel Enolase-N/ribosomal protein TIM beta/alpha-barrel Enolase-N/ribosomal protein TIM beta/alpha-barrel | LigPlot |