PDB ligand accession: G9E
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UCMVZMXGBOBQEZ-UHFFFAOYSA-N
SMILES: COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoyl derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6HKN | Download | Experimental | e6hknA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |