PDB ligand accession: KDH
DrugBank: DB12116
PubChem:
ChEMBL:
InChI Key: WMBWREPUVVBILR-WIYYLYMNSA-N
SMILES: c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Flavonoids
- Subclass: Flavans
- Class: Flavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3NG5 | Download | Experimental | e3ng5A1 e3ng5B1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |