PDB ligand accession: SMI
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JEBSYFSDBYNEEU-GOZOPVAMSA-N
SMILES: CC1CC(C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Dioxanes
- Subclass: 1,4-dioxanes
- Class: Dioxanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3I0O | Download | Experimental | e3i0oA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |