PDB ligand accession: BDE
DrugBank: DB07445
PubChem:
ChEMBL:
InChI Key: PYVJEAZDEZTGIS-UBKPWBPPSA-N
SMILES: c1cc(cnc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridinecarboxylic acids and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2GLP | Download | Experimental | e2glpA1 e2glpB1 e2glpC1 e2glpD1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |