PDB ligand accession: 1WX
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: KHMHPWZCDNMQKJ-UHFFFAOYSA-N
SMILES: c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F
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 |
---|---|---|---|---|---|
4LB4 | Download | Experimental | e4lb4A1 | TIM beta/alpha-barrel | LigPlot |