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 |
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3Q08 | Download | Experimental | e3q08A1 e3q08A2 e3q08B1 e3q08B2 e3q08C1 e3q08C2 e3q08D1 e3q08D2 e3q08E1 e3q08E2 e3q08F1 e3q08F2 e3q08G1 e3q08G2 e3q08H1 e3q08H2 e3q08I1 e3q08I2 e3q08J1 e3q08J2 e3q08K1 e3q08K2 e3q08L1 e3q08L2 e3q08M1 e3q08M2 e3q08N1 e3q08N2 e3q08O1 e3q08O2 e3q08P1 e3q08P2 e3q08Q1 e3q08Q2 e3q08R1 e3q08R2 e3q08S1 e3q08S2 e3q08T1 e3q08T2 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |