PDB ligand accession: ML9
DrugBank: DB11974
PubChem: n/a
ChEMBL:
InChI Key: XDLYKKIQACFMJG-WKILWMFISA-N
SMILES: Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO
Drug action: modulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Bipyridines and oligopyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3ML9 | Download | Experimental | e3ml9A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |