PDB ligand accession: 2HY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XERLAFZWYABQAT-LJQANCHMSA-N
SMILES: CC1=C(C(NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Trifluoromethylbenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3Q77 | Download | Experimental | e3q77A1 | cradle loop barrel | LigPlot |