PDB ligand accession: 3BE
DrugBank: DB07044
PubChem:
ChEMBL:
InChI Key: VOWXAXNVAGLOGM-NGYBGAFCSA-N
SMILES: c1cc(cc(c1)Br)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 |
---|---|---|---|---|---|
3DOZ | Download | Experimental | e3dozA1 e3dozB1 e3dozC1 e3dozD1 | 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 |