PDB ligand accession: J5Z
DrugBank: DB08008
PubChem:
ChEMBL:
InChI Key: LRHHXKBKRNNFRV-UHFFFAOYSA-N
SMILES: Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)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 |
---|---|---|---|---|---|
3I6R | Download | Experimental | e3i6rA1 | TIM beta/alpha-barrel | LigPlot |