PDB ligand accession: 6QL
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RYVIXQCRCQLFCM-UHFFFAOYSA-N
SMILES: COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Ethers
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5K3S | Download | Experimental | e5k3sA2 e5k3sA3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
7U25 | Download | Experimental | e7u25A2 e7u25A3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
7TZZ | Download | Experimental | e7tzzA1 e7tzzA2 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |