PDB ligand accession: 7KY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FHDUIAYTJZAXNW-UHFFFAOYSA-N
SMILES: COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5TTZ | Download | Experimental | e5ttzA1 e5ttzB1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |