PDB ligand accession: 5Y5
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WSMWEZWUWJDREU-AWEZNQCLSA-N
SMILES: Cc1cc(n2c(n1)nc(n2)C(C)(F)F)NC3CCc4ccc(cc4C3)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Tetralins
- Subclass: None
- Class: Tetralins
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5FI8 | Download | Experimental | e5fi8A1 | TIM beta/alpha-barrel | LigPlot |