PDB ligand accession: 2C5
DrugBank: DB06953
PubChem:
ChEMBL: n/a
InChI Key: JVWHVGIRXILXMU-XMMPIXPASA-N
SMILES: Cn1cncc1C(c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl
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 |
---|---|---|---|---|---|
1NI1 | Download | Experimental | e1ni1B1 e1ni1A1 | Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |