PDB ligand accession: 27B
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VUVIRKAVBZITDO-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)ccc(c2Br)C(=O)O
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 |
---|---|---|---|---|---|
4K4R | Download | Experimental | e4k4rA1 e4k4rB1 | cradle loop barrel cradle loop barrel | LigPlot |