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 |
---|---|---|---|---|---|
1XMC | Download | Experimental | e1xmcA1 e1xmcA2 e1xmcB1 e1xmcB2 | CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases | LigPlot |
1XMD | Download | Experimental | e1xmdA1 e1xmdA2 e1xmdB1 e1xmdB2 | CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases | LigPlot |
1XL7 | Download | Experimental | e1xl7A1 e1xl7A2 e1xl7B1 e1xl7B2 | CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases CoA-dependent acyltransferases | LigPlot |