PDB ligand accession: 6T9
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DWKGLYKXNUIYDM-GOSISDBHSA-N
SMILES: CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)C3(C(COC(=N3)N)(F)F)C)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4J0T | Download | Experimental | e4j0tA2 e4j0tA3 | cradle loop barrel cradle loop barrel | LigPlot |