PDB ligand accession: G1L
DrugBank: DB07805
PubChem:
ChEMBL:
InChI Key: QCQZFHOGRCQNIH-UHFFFAOYSA-N
SMILES: CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F
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 |
---|---|---|---|---|---|
2I80 | Download | Experimental | e2i80A3 e2i80A4 e2i80B1 e2i80B2 | Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like | LigPlot |