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 |
---|---|---|---|---|---|
1RM6 | Download | Experimental | e1rm6A4 e1rm6C1 e1rm6A2 e1rm6D1 e1rm6D2 | MocoBD/DmpA-related CO dehydrogenase ISP C-domain like alpha/beta-Hammerhead/Barrel-sandwich hybrid MocoBD/DmpA-related alpha/beta-Hammerhead/Barrel-sandwich hybrid | LigPlot |
1SB3 | Download | Experimental | e1sb3A3 | MocoBD/DmpA-related | LigPlot |