PDB ligand accession: H5I
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: FBOZVYXXWXOUOV-VIFPVBQESA-N
SMILES: CC1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)(F)F)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic nitrogen compounds
- Class: Organonitrogen compounds
- Subclass: Amines
- Class: Organonitrogen compounds
- Superclass: Organic nitrogen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7R2B | Download | Experimental | e7r2bA3 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |