PDB ligand accession: 1H7
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ALKHFUPBQSAGMS-MAUKXSAKSA-N
SMILES: CC1(C(COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
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 |
---|---|---|---|---|---|
4J0V | Download | Experimental | e4j0vA2 e4j0vA3 | cradle loop barrel cradle loop barrel | LigPlot |