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 |
|---|---|---|---|---|---|
| 8GSS | Download | Experimental | e8gssB2 e8gssB1 e8gssC2 e8gssC1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 2A2S | Download | Experimental | e2a2sA2 e2a2sA1 e2a2sB2 e2a2sB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 10GS | Download | Experimental | e10gsA2 e10gsA1 e10gsB2 e10gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1AQW | Download | Experimental | e1aqwA2 e1aqwA1 e1aqwB2 e1aqwB1 e1aqwC2 e1aqwA2 e1aqwC1 e1aqwA1 e1aqwD2 e1aqwD1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 5DAL | Download | Experimental | e5dalA1 e5dalA2 e5dalB1 e5dalB2 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 5DAK | Download | Experimental | e5dakA1 e5dakA2 e5dakB1 e5dakB2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 3CSJ | Download | Experimental | e3csjA2 e3csjA1 e3csjB2 e3csjB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 9GSS | Download | Experimental | e9gssA2 e9gssA1 e9gssB2 e9gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 2A2R | Download | Experimental | e2a2rA2 e2a2rA1 e2a2rB2 e2a2rB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 6LLX | Download | Experimental | e6llxA1 e6llxA2 e6llxB1 e6llxB2 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 1ZGN | Download | Experimental | e1zgnA2 e1zgnA1 e1zgnB2 e1zgnB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 2GSS | Download | Experimental | e2gssB2 e2gssA2 e2gssA1 e2gssB1 e2gssB2 e2gssB1 | Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3DGQ | Download | Experimental | e3dgqA1 e3dgqA2 e3dgqB3 e3dgqB4 | Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3PGT | Download | Experimental | e3pgtA2 e3pgtB2 | Thioredoxin-like Thioredoxin-like | LigPlot |
| 1PX7 | Download | Experimental | e1px7A2 e1px7A1 e1px7B2 e1px7B1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1PX6 | Download | Experimental | e1px6A2 e1px6A1 e1px6B2 e1px6B1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3GSS | Download | Experimental | e3gssA2 e3gssA1 e3gssB2 e3gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3GUS | Download | Experimental | e3gusA1 e3gusA2 e3gusB3 e3gusB4 | Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 6GSS | Download | Experimental | e6gssA2 e6gssA1 e6gssB2 e6gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 14GS | Download | Experimental | e14gsA3 e14gsA4 e14gsB3 e14gsB4 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 5J41 | Download | Experimental | e5j41A1 e5j41A2 e5j41B1 e5j41B2 | Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 22GS | Download | Experimental | e22gsA2 e22gsB2 e22gsB1 e22gsA1 e22gsB2 e22gsB1 | Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 7BIA | Download | Experimental | e7biaA1 e7biaA2 e7biaB1 e7biaB2 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 16GS | Download | Experimental | e16gsA2 e16gsA1 e16gsB2 e16gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 12GS | Download | Experimental | e12gsA2 e12gsA1 e12gsB2 e12gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 13GS | Download | Experimental | e13gsA2 e13gsB2 e13gsA1 e13gsB1 e13gsB2 e13gsB1 | Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3IE3 | Download | Experimental | e3ie3A1 e3ie3A2 e3ie3B1 e3ie3B2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 19GS | Download | Experimental | e19gsA2 e19gsA1 e19gsB2 e19gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 5GSS | Download | Experimental | e5gssB2 e5gssA2 e5gssA1 e5gssB1 e5gssB2 e5gssB1 | Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3CSI | Download | Experimental | e3csiA2 e3csiA1 e3csiB2 e3csiB1 e3csiD2 e3csiD1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 4PGT | Download | Experimental | e4pgtA2 e4pgtA1 e4pgtB2 e4pgtB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 6Y1E | Download | Experimental | e6y1eA1 e6y1eA2 e6y1eA1 e6y1eA2 e6y1eB1 e6y1eB2 e6y1eA1 e6y1eA2 e6y1eC1 e6y1eC2 e6y1eC1 e6y1eD1 e6y1eD2 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 11GS | Download | Experimental | e11gsA2 e11gsA1 e11gsB2 e11gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3HKR | Download | Experimental | e3hkrA1 e3hkrA2 e3hkrB1 e3hkrB2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 5DJM | Download | Experimental | e5djmA1 e5djmA2 e5djmB1 e5djmB2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 5DDL | Download | Experimental | e5ddlA1 e5ddlA2 e5ddlB1 e5ddlB2 | Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 5X79 | Download | Experimental | e5x79A1 e5x79A2 e5x79B1 e5x79B2 | Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 6AP9 | Download | Experimental | e6ap9A1 e6ap9A2 e6ap9B1 e6ap9B2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 1LBK | Download | Experimental | e1lbkA2 e1lbkA1 e1lbkB2 e1lbkB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 17GS | Download | Experimental | e17gsB2 e17gsA2 e17gsA1 e17gsB1 e17gsB2 e17gsB1 | Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3N9J | Download | Experimental | e3n9jA3 e3n9jA4 e3n9jB3 e3n9jB4 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 5DJL | Download | Experimental | e5djlA1 e5djlA2 e5djlB1 e5djlB2 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1MD3 | Download | Experimental | e1md3A2 e1md3A1 e1md3B2 e1md3B1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 7GSS | Download | Experimental | e7gssA2 e7gssA1 e7gssB2 e7gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3CSH | Download | Experimental | e3cshA2 e3cshA1 e3cshB2 e3cshB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1AQX | Download | Experimental | e1aqxA2 e1aqxA1 e1aqxB2 e1aqxB1 e1aqxA2 e1aqxC2 e1aqxC1 e1aqxA1 e1aqxD2 e1aqxD1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 4GSS | Download | Experimental | e4gssA2 e4gssA1 e4gssB2 e4gssB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 18GS | Download | Experimental | e18gsA2 e18gsA1 e18gsB2 e18gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 5DCG | Download | Experimental | e5dcgA1 e5dcgA2 e5dcgB1 e5dcgB2 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1KBN | Download | Experimental | e1kbnA2 e1kbnA1 e1kbnB2 e1kbnB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1AQV | Download | Experimental | e1aqvA2 e1aqvA1 e1aqvB2 e1aqvB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 1MD4 | Download | Experimental | e1md4A2 e1md4A1 e1md4B2 e1md4B1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 3HJM | Download | Experimental | e3hjmA1 e3hjmA2 e3hjmB1 e3hjmB2 e3hjmD1 e3hjmD2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |
| 3DD3 | Download | Experimental | e3dd3A1 e3dd3A2 e3dd3B3 e3dd3B4 | Repetitive alpha hairpins Thioredoxin-like Thioredoxin-like Repetitive alpha hairpins | LigPlot |
| 20GS | Download | Experimental | e20gsA2 e20gsA1 e20gsB2 e20gsB1 | Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins | LigPlot |