PDB ligand accession: AQ1
DrugBank: n/a
PubChem: 7539905;135567364;
ChEMBL:
InChI Key: PKDFHRREPYQILX-UHFFFAOYSA-N
SMILES: CCCC1=CC(=O)NC(=N1)Nc2ccccc2F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5WI0 | Download | Experimental | e5wi0A2 e5wi0B3 e5wi0A1 e5wi0A2 e5wi0B2 | TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |