PDB ligand accession: KPV
DrugBank: DB08050
PubChem:
ChEMBL: n/a
InChI Key: MJXXAPORLGKVLB-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCCC(=O)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Keto acids and derivatives
- Subclass: Medium-chain keto acids and derivatives
- Class: Keto acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2Q5Q | Download | Experimental | e2q5qA7 e2q5qA8 e2q5qA9 e2q5qB7 e2q5qB8 e2q5qB9 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |