PDB ligand accession: HL1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NXPAPTOHRVIGJL-LAUBAEHRSA-N
SMILES: COc1cc2ccc3c(c2cc1OC)CC(C(O3)c4cc(c(cc4F)F)F)N
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 |
---|---|---|---|---|---|
5J3J | Download | Experimental | e5j3jA1 e5j3jA2 e5j3jB2 e5j3jB3 | beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases | LigPlot |