PDB ligand accession: 2QG
DrugBank: DB12980
PubChem:
ChEMBL:
InChI Key: BOIPLTNGIAPDBY-UHFFFAOYSA-N
SMILES: c1cc(ccc1OCCCCCCN=C(NC#N)Nc2ccncc2)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4O12 | Download | Experimental | e4o12A1 e4o12B3 e4o12A1 e4o12A2 e4o12B2 | TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel | LigPlot |