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 |
---|---|---|---|---|---|
6ZDK | Download | Experimental | e6zdkAAA1 | TIM beta/alpha-barrel | LigPlot |
6ZDL | Download | Experimental | e6zdlAAA1 | TIM beta/alpha-barrel | LigPlot |
6ZDF | Download | Experimental | e6zdfA1 e6zdfB1 e6zdfC1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
6ZFA | Download | Experimental | e6zfaAAA1 | TIM beta/alpha-barrel | LigPlot |
6ZJ5 | Download | Experimental | e6zj5AAA1 | TIM beta/alpha-barrel | LigPlot |