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 |
---|---|---|---|---|---|
5SXV | Download | Experimental | e5sxvB1 e5sxvB2 e5sxvC2 e5sxvD1 e5sxvD2 e5sxvE1 e5sxvA1 e5sxvE1 e5sxvE2 e5sxvF1 e5sxvF2 e5sxvG2 e5sxvG1 e5sxvG2 e5sxvH2 e5sxvH2 e5sxvI1 e5sxvI1 e5sxvI2 e5sxvJ2 e5sxvF2 e5sxvJ1 e5sxvJ2 | 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 Neurotransmitter-gated ion-channel transmembrane pore Neurotransmitter-gated ion-channel transmembrane pore Immunoglobulin-like beta-sandwich 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 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 | LigPlot |
6HJX | Download | Experimental | e6hjxC1 e6hjxB2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
6SSI | Download | Experimental | e6ssiA2 e6ssiB1 e6ssiC2 e6ssiD1 e6ssiE2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |