PDB ligand accession: 8WC
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JQPWKVGXPWCDEE-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5YJB | Download | Experimental | e5yjbA1 e5yjbA3 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |