PDB ligand accession: NQ5
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZWPJBXLFZFLGMV-OAQYLSRUSA-N
SMILES: COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isocoumarans
- Subclass: None
- Class: Isocoumarans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6TNS | Download | Experimental | e6tnsA4 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |