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 |
|---|---|---|---|---|---|
| 5D0Z | Download | Experimental | e5d0zJ1 e5d0zK1 e5d0zX1 e5d0zY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ1 | Download | Experimental | e4qz1J1 e4qz1K1 e4qz1X1 e4qz1Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5P | Download | Experimental | e5l5pJ1 e5l5pK1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW7 | Download | Experimental | e4qw7J1 e4qw7K1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L55 | Download | Experimental | e5l55J1 e5l55K1 e5l55X1 e5l55Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWE | Download | Experimental | e6hweJ1 e6hweK1 e6hweX1 e6hweY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QXJ | Download | Experimental | e4qxjJ1 e4qxjK1 e4qxjX1 e4qxjY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HW9 | Download | Experimental | e6hw9J1 e6hw9K1 e6hw9X1 e6hw9Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWI | Download | Experimental | e4qwiJ1 e4qwiK1 e4qwiX1 e4qwiY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5X | Download | Experimental | e5l5xJ1 e5l5xK1 e5l5xX1 e5l5xY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW5 | Download | Experimental | e4qw5X1 e4qw5Y1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZX | Download | Experimental | e4qzxJ1 e4qzxK1 e4qzxX1 e4qzxY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWS | Download | Experimental | e4qwsJ1 e4qwsK1 e4qwsX1 e4qwsY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW6 | Download | Experimental | e4qw6J1 e4qw6K1 e4qw6X1 e4qw6Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L60 | Download | Experimental | e5l60J1 e5l60K1 e5l60X1 e5l60Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWB | Download | Experimental | e6hwbJ1 e6hwbK1 e6hwbX1 e6hwbY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HTC | Download | Experimental | e6htcJ1 e6htcK1 e6htcX1 e6htcY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L61 | Download | Experimental | e5l61J1 e5l61K1 e5l61X1 e5l61Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ2 | Download | Experimental | e4qz2J1 e4qz2K1 e4qz2X1 e4qz2Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5Y | Download | Experimental | e5l5yJ1 e5l5yK1 e5l5yX1 e5l5yY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HV4 | Download | Experimental | e6hv4J1 e6hv4K1 e6hv4X1 e6hv4Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ7 | Download | Experimental | e4qz7J1 e4qz7K1 e4qz7X1 e4qz7Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWX | Download | Experimental | e4qwxJ1 e4qwxK1 e4qwxX1 e4qwxY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ0 | Download | Experimental | e4qz0J1 e4qz0K1 e4qz0X1 e4qz0Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L63 | Download | Experimental | e5l63J1 e5l63K1 e5l63X1 e5l63Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ4 | Download | Experimental | e4qz4J1 e4qz4K1 e4qz4X1 e4qz4Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWR | Download | Experimental | e4qwrX1 e4qwrY1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWA | Download | Experimental | e6hwaJ1 e6hwaK1 e6hwaX1 e6hwaY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L52 | Download | Experimental | e5l52J1 e5l52K1 e5l52X1 e5l52Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HW8 | Download | Experimental | e6hw8J1 e6hw8K1 e6hw8X1 e6hw8Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5CGI | Download | Experimental | e5cgiJ1 e5cgiK1 e5cgiX1 e5cgiY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L62 | Download | Experimental | e5l62J1 e5l62K1 e5l62X1 e5l62Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L64 | Download | Experimental | e5l64J1 e5l64K1 e5l64X1 e5l64Y1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5LTT | Download | Experimental | e5lttJ1 e5lttK1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWL | Download | Experimental | e4qwlX1 e4qwlY1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWF | Download | Experimental | e4qwfJ1 e4qwfK1 e4qwfX1 e4qwfY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWF | Download | Experimental | e6hwfJ1 e6hwfK1 e6hwfX1 e6hwfY1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZW | Download | Experimental | e4qzwX1 e4qzwY1 | Ntn/PP2C Ntn/PP2C | LigPlot |