PDB ligand accession: EDO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES: C(CO)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Alcohols and polyols
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 6TJ9 | Download | Experimental | e6tj9A1 e6tj9A3 e6tj9B2 e6tj9B3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like | LigPlot |
| 6TJ8 | Download | Experimental | e6tj8A2 e6tj8A3 e6tj8A1 e6tj8A2 e6tj8B1 e6tj8B2 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5HHT | Download | Experimental | e5hhtA2 e5hhtB1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 2R8O | Download | Experimental | e2r8oA1 e2r8oB1 e2r8oB2 e2r8oB3 | TK C-terminal domain-like TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 2R8P | Download | Experimental | e2r8pA1 e2r8pB1 e2r8pB2 e2r8pB3 | TK C-terminal domain-like TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 2R5N | Download | Experimental | e2r5nA1 e2r5nA2 e2r5nB3 | TK C-terminal domain-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 6RJC | Download | Experimental | e6rjcA2 e6rjcB1 e6rjcA2 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |