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 |
|---|---|---|---|---|---|
| 2X70 | Download | Experimental | e2x70A1 e2x70A2 e2x70B1 e2x70D1 e2x70E1 e2x70D1 e2x70D2 e2x70E1 | Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4P | Download | Experimental | e2x4pA1 e2x4pB1 e2x4pD1 e2x4pE1 e2x4pD1 e2x4pD2 e2x4pE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4Q | Download | Experimental | e2x4qA1 e2x4qB1 e2x4qD1 e2x4qE1 e2x4qD1 e2x4qD2 e2x4qE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4O | Download | Experimental | e2x4oA1 e2x4oA2 e2x4oB1 e2x4oA2 e2x4oD1 e2x4oE1 e2x4oD1 e2x4oE1 | Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 5MER | Download | Experimental | e5merA1 e5merE1 e5merA2 e5merB1 e5merD2 e5merE1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4S | Download | Experimental | e2x4sA1 e2x4sB1 e2x4sD1 e2x4sE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 7R7X | Download | Experimental | e7r7xB1 e7r7xD1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6O9B | Download | Experimental | e6o9bA1 e6o9bB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 7KP1 | Download | Experimental | e7kp1A1 e7kp1B1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4T | Download | Experimental | e2x4tA1 e2x4tA2 e2x4tB1 e2x4tD1 e2x4tD2 e2x4tE1 | Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4U | Download | Experimental | e2x4uA1 e2x4uA2 e2x4uB1 e2x4uD1 e2x4uE1 | Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6UZ1 | Download | Experimental | e6uz1A1 e6uz1A2 e6uz1B1 e6uz1F1 e6uz1F2 e6uz1G1 | Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 3D18 | Download | Experimental | e3d18A1 e3d18A2 e3d18B1 | Immunoglobulin-like beta-sandwich MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 2X4N | Download | Experimental | e2x4nD1 e2x4nE1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 6O9C | Download | Experimental | e6o9cA1 e6o9cA2 e6o9cB1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
| 7NMF | Download | Experimental | e7nmfA2 e7nmfB1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 7SH4 | Download | Experimental | e7sh4A2 e7sh4B1 | MHC antigen-recognition domain Immunoglobulin-like beta-sandwich | LigPlot |
| 3O4L | Download | Experimental | e3o4lB1 | Immunoglobulin-like beta-sandwich | LigPlot |
| 5C0F | Download | Experimental | e5c0fA1 e5c0fB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |