PDB ligand accession: 472
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: AIKOTXHNUIYVMD-HXUWFJFHSA-N
SMILES: CN1C(=O)C(N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4
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 |
---|---|---|---|---|---|
3IN3 | Download | Experimental | e3in3A2 e3in3A3 | cradle loop barrel cradle loop barrel | LigPlot |