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 |
---|---|---|---|---|---|
1QEX | Download | Experimental | e1qexA3 e1qexB2 | gp9 C-terminal domain-like gp9 C-terminal domain-like | LigPlot |
1S2E | Download | Experimental | e1s2eA2 e1s2eB2 | gp9 C-terminal domain-like gp9 C-terminal domain-like | LigPlot |
1ZKU | Download | Experimental | e1zkuA2 e1zkuB2 e1zkuB2 e1zkuC2 e1zkuA2 e1zkuC2 e1zkuD2 e1zkuE2 e1zkuE2 e1zkuF2 e1zkuD2 e1zkuF2 e1zkuG2 e1zkuH2 e1zkuH2 e1zkuI2 e1zkuG2 e1zkuI2 e1zkuJ2 e1zkuK2 e1zkuK2 e1zkuL2 e1zkuJ2 e1zkuL2 e1zkuM2 e1zkuN2 e1zkuN2 e1zkuO2 e1zkuM2 e1zkuO2 e1zkuP2 e1zkuQ2 e1zkuQ2 e1zkuR2 e1zkuP2 e1zkuR2 | gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like gp9 C-terminal domain-like | LigPlot |