PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL:
InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
Drug action: inhibitor
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 |
|---|---|---|---|---|---|
| 1P0M | Download | Experimental | e1p0mA1 | alpha/beta-Hydrolases | LigPlot |
| 7AMZ | Download | Experimental | e7amzA1 | alpha/beta-Hydrolases | LigPlot |
| 7QHD | Download | Experimental | e7qhdA1 | alpha/beta-Hydrolases | LigPlot |
| 7QBR | Download | Experimental | e7qbrA1 | alpha/beta-Hydrolases | LigPlot |
| 7BO4 | Download | Experimental | e7bo4A1 | alpha/beta-Hydrolases | LigPlot |
| 7ZPB | Download | Experimental | e7zpbA1 | alpha/beta-Hydrolases | LigPlot |
| 6I0C | Download | Experimental | e6i0cA1 | alpha/beta-Hydrolases | LigPlot |
| 2J4C | Download | Experimental | e2j4cA1 | alpha/beta-Hydrolases | LigPlot |
| 6QAA | Download | Experimental | e6qaaA1 | alpha/beta-Hydrolases | LigPlot |
| 7BO3 | Download | Experimental | e7bo3A1 | alpha/beta-Hydrolases | LigPlot |
| 7AWH | Download | Experimental | e7awhA1 | alpha/beta-Hydrolases | LigPlot |
| 7AWG | Download | Experimental | e7awgA1 | alpha/beta-Hydrolases | LigPlot |
| 8CGO | Download | Experimental | e8cgoA1 | alpha/beta-Hydrolases | LigPlot |
| 6QAD | Download | Experimental | e6qadA1 | alpha/beta-Hydrolases | LigPlot |
| 5NN0 | Download | Experimental | e5nn0A1 | alpha/beta-Hydrolases | LigPlot |
| 7BGC | Download | Experimental | e7bgcA1 | alpha/beta-Hydrolases | LigPlot |
| 1P0I | Download | Experimental | e1p0iA1 | alpha/beta-Hydrolases | LigPlot |
| 7AWI | Download | Experimental | e7awiA1 | alpha/beta-Hydrolases | LigPlot |
| 6QAB | Download | Experimental | e6qabA1 | alpha/beta-Hydrolases | LigPlot |
| 7QHE | Download | Experimental | e7qheA1 | alpha/beta-Hydrolases | LigPlot |
| 6I0B | Download | Experimental | e6i0bA1 | alpha/beta-Hydrolases | LigPlot |