PDB ligand accession: BE3
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: FSNSRNCFARXZOP-JQFCFGFHSA-N
SMILES: c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4ccccc4CC3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Indanes
- Subclass: None
- Class: Indanes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1W5V | Download | Experimental | e1w5vA1 e1w5vB1 | cradle loop barrel cradle loop barrel | LigPlot |