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 |
---|---|---|---|---|---|
4R8K | Download | Experimental | e4r8kA1 e4r8kD2 e4r8kB2 e4r8kC2 e4r8kB1 e4r8kC1 e4r8kA2 e4r8kD1 e4r8kE1 e4r8kH2 e4r8kF1 e4r8kG2 e4r8kF2 e4r8kG1 e4r8kE2 e4r8kH1 | Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase N-terminal domain Glutaminase/Asparaginase C-terminal domain Glutaminase/Asparaginase N-terminal domain | LigPlot |