PDB ligand accession: MIL
DrugBank: DB00235
PubChem: 4197;5281020;
ChEMBL:
InChI Key: PZRHRDRVRGEVNW-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C(=O)N1)C#N)c2ccncc2
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Bipyridines and oligopyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | Q14432_MIL | Q14432 | inhibitor | Ki(nM) = 150.0 IC50(nM) = 210.0 |
2 | P02766_MIL | P02766 | n/a |