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 |
|---|---|---|---|---|---|
| 3RQU | Download | Experimental | e3rquB6 e3rquA2 e3rquC6 e3rquB6 e3rquC6 e3rquD6 e3rquE6 e3rquD6 e3rquH6 e3rquG6 e3rquI6 e3rquJ6 | Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore | LigPlot |
| 5SXU | Download | Experimental | e5sxuA1 e5sxuA2 e5sxuB2 e5sxuB1 e5sxuB2 e5sxuC2 e5sxuC1 e5sxuC2 e5sxuD2 e5sxuD1 e5sxuD2 e5sxuE1 e5sxuA2 e5sxuE1 e5sxuE2 e5sxuF1 e5sxuF2 e5sxuG1 e5sxuG1 e5sxuG2 e5sxuH2 e5sxuH1 e5sxuH2 e5sxuI1 e5sxuI1 e5sxuJ1 e5sxuF1 e5sxuJ1 e5sxuJ2 | Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich | LigPlot |
| 3RQW | Download | Experimental | e3rqwA6 e3rqwB6 e3rqwB5 e3rqwB6 e3rqwC6 e3rqwE6 e3rqwD6 e3rqwE6 e3rqwA6 e3rqwG6 e3rqwF6 e3rqwG6 e3rqwH6 e3rqwJ6 e3rqwI6 e3rqwF6 e3rqwJ6 | Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore | LigPlot |
| 4Z91 | Download | Experimental | e4z91A1 e4z91A2 e4z91B2 e4z91B1 e4z91B2 e4z91C2 e4z91C2 e4z91D2 e4z91D1 e4z91D2 e4z91E2 e4z91A2 e4z91E1 e4z91E2 e4z91F1 e4z91F2 e4z91G2 e4z91G1 e4z91G2 e4z91H2 e4z91H2 e4z91I2 e4z91I1 e4z91I2 e4z91J2 e4z91F2 e4z91J1 e4z91J2 | Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore | LigPlot |
| 4Z90 | Download | Experimental | e4z90A2 e4z90E2 e4z90B1 e4z90B2 e4z90C2 e4z90C1 e4z90C2 e4z90D2 e4z90D1 e4z90D2 e4z90E2 e4z90F1 e4z90F2 e4z90G2 e4z90G1 e4z90G2 e4z90H2 e4z90H2 e4z90I2 e4z90I1 e4z90I2 e4z90J2 e4z90F2 e4z90J2 | Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore | LigPlot |