PDB ligand accession: CJ2
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IMCLZLUHJZCWCW-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6F2U | Download | Experimental | e6f2uA1 e6f2uB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |