PDB ligand accession: 6DL
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WTHWBOWCSOCLLT-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Triazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5J8M | Download | Experimental | e5j8mA1 e5j8mB1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |
5J8U | Download | Experimental | e5j8uA1 e5j8uB1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |
5J2X | Download | Experimental | e5j2xA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |