PDB ligand accession: GX6
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GBDJTQDCHCBNSY-HSZRJFAPSA-N
SMILES: CC#CC1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)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 |
---|---|---|---|---|---|
7D5A | Download | Experimental | e7d5aA1 e7d5aA2 | cradle loop barrel cradle loop barrel | LigPlot |