PDB ligand accession: A3K
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KWTGXMXCSXFSJX-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)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 |
---|---|---|---|---|---|
5OPU | Download | Experimental | e5opuA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |