PDB ligand accession: BH9
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XBKNNPZVSZKDRB-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyrazolylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4BHN | Download | Experimental | e4bhnA1 e4bhnB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |