PDB ligand accession: 9PC
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: INYJNSBDHOVLAH-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)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 |
---|---|---|---|---|---|
4DXD | Download | Experimental | e4dxdA1 e4dxdA2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |