PDB ligand accession: 1HQ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZQBDXEARYNLKKR-SFHVURJKSA-N
SMILES: c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)C3(CCOC(=N3)N)C(F)F)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 |
---|---|---|---|---|---|
4J17 | Download | Experimental | e4j17A2 e4j17A3 | cradle loop barrel cradle loop barrel | LigPlot |