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 | e5d0zH1 e5d0zZ1 e5d0zV1 e5d0zL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ1 | Download | Experimental | e4qz1H1 e4qz1Z1 e4qz1V1 e4qz1L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HUV | Download | Experimental | e6huvH1 e6huvZ1 e6huvV1 e6huvL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5CZ9 | Download | Experimental | e5cz9H1 e5cz9Z1 e5cz9V1 e5cz9L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5FGG | Download | Experimental | e5fggH1 e5fggZ1 e5fggV1 e5fggL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW7 | Download | Experimental | e4qw7H1 e4qw7Z1 e4qw7V1 e4qw7L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW4 | Download | Experimental | e4qw4H1 e4qw4Z1 e4qw4V1 e4qw4L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWE | Download | Experimental | e6hweH1 e6hweZ1 e6hweV1 e6hweL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QXJ | Download | Experimental | e4qxjH1 e4qxjZ1 e4qxjV1 e4qxjL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HW9 | Download | Experimental | e6hw9H1 e6hw9Z1 e6hw9V1 e6hw9L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5JHS | Download | Experimental | e5jhsH1 e5jhsZ1 e5jhsV1 e5jhsL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5D | Download | Experimental | e5l5dH1 e5l5dZ1 e5l5dV1 e5l5dL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5X | Download | Experimental | e5l5xH1 e5l5xZ1 e5l5xV1 e5l5xL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW5 | Download | Experimental | e4qw5H1 e4qw5Z1 e4qw5V1 e4qw5L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HVV | Download | Experimental | e6hvvH1 e6hvvZ1 e6hvvV1 e6hvvL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZX | Download | Experimental | e4qzxH1 e4qzxZ1 e4qzxV1 e4qzxL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWS | Download | Experimental | e4qwsH1 e4qwsZ1 e4qwsV1 e4qwsL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QW6 | Download | Experimental | e4qw6H1 e4qw6Z1 e4qw6V1 e4qw6L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWB | Download | Experimental | e6hwbH1 e6hwbZ1 e6hwbV1 e6hwbL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HTC | Download | Experimental | e6htcH1 e6htcZ1 e6htcV1 e6htcL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ2 | Download | Experimental | e4qz2H1 e4qz2Z1 e4qz2V1 e4qz2L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4YA2 | Download | Experimental | e4ya2V1 e4ya2L1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HVY | Download | Experimental | e6hvyH1 e6hvyZ1 e6hvyV1 e6hvyL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5Y | Download | Experimental | e5l5yH1 e5l5yZ1 e5l5yV1 e5l5yL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5FGD | Download | Experimental | e5fgdH1 e5fgdZ1 e5fgdV1 e5fgdL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HV4 | Download | Experimental | e6hv4H1 e6hv4Z1 e6hv4V1 e6hv4L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QLQ | Download | Experimental | e4qlqZ1 e4qlqH1 e4qlqV1 e4qlqL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWX | Download | Experimental | e4qwxH1 e4qwxZ1 e4qwxV1 e4qwxL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5CZ5 | Download | Experimental | e5cz5H1 e5cz5Z1 e5cz5V1 e5cz5L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QZ0 | Download | Experimental | e4qz0H1 e4qz0Z1 e4qz0V1 e4qz0L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5FGE | Download | Experimental | e5fgeH1 e5fgeZ1 e5fgeV1 e5fgeL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWA | Download | Experimental | e6hwaH1 e6hwaZ1 | Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HVW | Download | Experimental | e6hvwH1 e6hvwZ1 e6hvwV1 e6hvwL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5FGF | Download | Experimental | e5fgfH1 e5fgfZ1 e5fgfV1 e5fgfL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HW8 | Download | Experimental | e6hw8H1 e6hw8Z1 e6hw8V1 e6hw8L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5CZ8 | Download | Experimental | e5cz8H1 e5cz8Z1 e5cz8V1 e5cz8L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5CGI | Download | Experimental | e5cgiH1 e5cgiZ1 e5cgiV1 e5cgiL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5D0V | Download | Experimental | e5d0vH1 e5d0vZ1 e5d0vV1 e5d0vL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5FHS | Download | Experimental | e5fhsH1 e5fhsZ1 e5fhsV1 e5fhsL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5D0S | Download | Experimental | e5d0sH1 e5d0sZ1 e5d0sV1 e5d0sL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L6B | Download | Experimental | e5l6bH1 e5l6bZ1 e5l6bV1 e5l6bL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L65 | Download | Experimental | e5l65H1 e5l65Z1 e5l65V1 e5l65L1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 4QWF | Download | Experimental | e4qwfH1 e4qwfZ1 e4qwfV1 e4qwfL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 5L5E | Download | Experimental | e5l5eH1 e5l5eZ1 e5l5eV1 e5l5eL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |
| 6HWF | Download | Experimental | e6hwfH1 e6hwfZ1 e6hwfV1 e6hwfL1 | Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C | LigPlot |