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 |
---|---|---|---|---|---|
2HGW | Download | Experimental | e2hgwA3 | barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |
2HGX | Download | Experimental | e2hgxB3 | barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |
2HHF | Download | Experimental | e2hhfB1 e2hhfA2 e2hhfB2 | barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |