PDB ligand accession: AAL
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: DCQFFOLNJVGHLW-DSOBHZJASA-N
SMILES: C1C2C(C(O1)C(C(O2)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Dioxepanes
- Subclass: 1,4-dioxepanes
- Class: Dioxepanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4BQ5 | Download | Experimental | e4bq5A2 e4bq5A1 e4bq5A2 e4bq5A1 e4bq5B2 e4bq5B1 e4bq5B2 e4bq5B1 | TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel jelly-roll | LigPlot |