PDB ligand accession: A26
DrugBank: DB08880
PubChem:
ChEMBL:
InChI Key: UTNUDOFZCWSZMS-YFHOEESVSA-N
SMILES: CC(=C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F)O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
1TV5 | Download | Experimental | e1tv5A1 | TIM beta/alpha-barrel | LigPlot |