PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL:
InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Oxazinanes
- Subclass: Morpholines
- Class: Oxazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4ZJ1 | Download | Experimental | e4zj1A1 e4zj1A2 | alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like | LigPlot |
4IBR | Download | Experimental | e4ibrA1 e4ibrA2 | alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like | LigPlot |
4IBX | Download | Experimental | e4ibxA1 e4ibxA2 e4ibxB1 e4ibxB2 e4ibxD1 e4ibxD2 | alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like | LigPlot |