PDB ligand accession: 2RB
DrugBank: DB06978
PubChem:
ChEMBL:
InChI Key: BMGXNERTVNWBJG-CNHKJKLMSA-N
SMILES: COc1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
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 |
---|---|---|---|---|---|
3DP1 | Download | Experimental | e3dp1A1 e3dp1B1 e3dp1C1 e3dp1D1 | 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 |