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 |
|---|---|---|---|---|---|
| 3K4J | Download | Experimental | e3k4jA6 | Rossmann-like | LigPlot |
| 3K4M | Download | Experimental | e3k4mB5 e3k4mD6 e3k4mA6 e3k4mB6 e3k4mA5 e3k4mA6 e3k4mC6 e3k4mD6 e3k4mA6 e3k4mC5 e3k4mH6 e3k4mF5 e3k4mE5 e3k4mE6 e3k4mF6 e3k4mG6 e3k4mE5 e3k4mE6 e3k4mH6 e3k4mG5 e3k4mG6 e3k4mE5 e3k4mE6 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 3LSH | Download | Experimental | e3lshC5 | FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3BLY | Download | Experimental | e3blyA6 | Rossmann-like | LigPlot |
| 4MOM | Download | Experimental | e4momA1 e4momA2 e4momB2 e4momC2 e4momD1 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 2IGN | Download | Experimental | e2ignB1 e2ignA2 e2ignD2 e2ignA1 e2ignA2 e2ignC2 e2ignB2 e2ignC1 e2ignA2 e2ignD2 e2ignD1 e2ignC2 e2ignB2 e2ignE1 e2ignF1 e2ignH2 e2ignE2 e2ignE1 e2ignF2 e2ignG2 e2ignE2 e2ignE1 e2ignG1 e2ignH2 e2ignG2 e2ignE2 e2ignH1 e2ignF2 e2ignG2 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
| 3FDY | Download | Experimental | e3fdyA2 | Rossmann-like | LigPlot |
| 2IGK | Download | Experimental | e2igkD6 e2igkB5 e2igkA6 e2igkB6 e2igkC6 e2igkA5 e2igkA6 e2igkD5 e2igkB6 e2igkC6 e2igkD6 e2igkC5 e2igkA6 e2igkF5 e2igkE5 e2igkE6 e2igkH6 e2igkF6 e2igkG6 e2igkH5 e2igkE5 e2igkE6 e2igkG5 e2igkG6 e2igkH6 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
| 4MOS | Download | Experimental | e4mosA2 | Rossmann-like | LigPlot |
| 2IGM | Download | Experimental | e2igmA6 e2igmB5 e2igmD6 e2igmA5 e2igmA6 e2igmB6 e2igmC6 e2igmA6 e2igmD6 e2igmC5 e2igmB6 e2igmD5 e2igmC6 e2igmH6 e2igmE5 e2igmE6 e2igmF5 e2igmE5 e2igmE6 e2igmF6 e2igmG6 e2igmH5 e2igmF6 e2igmG6 e2igmH6 e2igmE5 e2igmE6 e2igmG5 e2igmG6 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
| 3K4C | Download | Experimental | e3k4cA1 e3k4cA2 e3k4cB2 e3k4cD2 e3k4cA2 e3k4cC2 e3k4cD1 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOJ | Download | Experimental | e4mojA1 e4mojA1 e4mojA2 e4mojB2 e4mojC2 e4mojD1 | FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOR | Download | Experimental | e4morA1 e4morA2 e4morB2 e4morC2 e4morD1 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOK | Download | Experimental | e4mokA2 e4mokB1 e4mokD2 e4mokC1 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOL | Download | Experimental | e4molA2 e4molB1 e4molD2 e4molC1 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3PL8 | Download | Experimental | e3pl8A2 | Rossmann-like | LigPlot |
| 4MOP | Download | Experimental | e4mopA2 e4mopB1 e4mopD2 e4mopC1 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOH | Download | Experimental | e4mohA2 | Rossmann-like | LigPlot |
| 3K4L | Download | Experimental | e3k4lA2 e3k4lB1 e3k4lB1 | Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOE | Download | Experimental | e4moeA6 e4moeB1 e4moeD2 e4moeA5 e4moeA6 e4moeB2 e4moeC2 e4moeC1 e4moeD1 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4MOQ | Download | Experimental | e4moqB1 | FAD-linked reductases, C-terminal domain-like | LigPlot |