PDB ligand accession: HMO
DrugBank: DB04202
PubChem:
ChEMBL:
InChI Key: LNIQZRIHAMVRJA-UHFFFAOYSA-N
SMILES: COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Isoflavonoids
- Subclass: O-methylated isoflavonoids
- Class: Isoflavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1FP2 | Download | Experimental | e1fp2A2 | Rossmann-like | LigPlot |