PDB ligand accession: JR9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: QOEANVPMVDTINQ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzodioxoles
- Subclass: None
- Class: Benzodioxoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4R3M | Download | Experimental | e4r3mA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |