PDB ligand accession: 5T1
DrugBank: DB15639
PubChem:
ChEMBL:
InChI Key: DWHXUGDWKAIASB-CQSZACIVSA-N
SMILES: CC(c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O
Drug action: modulator
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 |
---|---|---|---|---|---|
5EYD | Download | Experimental | e5eydA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |