PDB ligand accession: 2BC
DrugBank: DB06949
PubChem:
ChEMBL:
InChI Key: LVLHTGJPIBVDTM-ZVBGSRNCSA-N
SMILES: c1ccc2cc(ccc2c1)C(=O)NN=Cc3cc(c(c(c3O)Br)O)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: Naphthalenecarboxylic acids and derivatives
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3DP0 | Download | Experimental | e3dp0A1 e3dp0B1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |