PDB ligand accession: BR6
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: JQXAHUQWUIRBGQ-GIJQJNRQSA-N
SMILES: c1cc(ccc1C=Nc2ccc(cc2)Br)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3A8B | Download | Experimental | e3a8bA1 | cradle loop barrel | LigPlot |