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 |
|---|---|---|---|---|---|
| 3SCS | Download | Experimental | e3scsA1 e3scsB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCP | Download | Experimental | e3scpA1 e3scpB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 4QLK | Download | Experimental | e4qlkA1 e4qlkB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3AHV | Download | Experimental | e3ahvA1 e3ahvB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCN | Download | Experimental | e3scnA1 e3scnB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7BZM | Download | Experimental | e7bzmA1 e7bzmB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 4QLL | Download | Experimental | e4qllA1 e4qllB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCV | Download | Experimental | e3scvA1 e3scvB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCR | Download | Experimental | e3scrA1 e3scrB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 4QLJ | Download | Experimental | e4qljA1 e4qljB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCO | Download | Experimental | e3scoA1 e3scoB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCW | Download | Experimental | e3scwA1 e3scwB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3AHT | Download | Experimental | e3ahtA1 e3ahtB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCQ | Download | Experimental | e3scqA1 e3scqB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCU | Download | Experimental | e3scuA1 e3scuB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 3SCT | Download | Experimental | e3sctA1 e3sctB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |