PDB ligand accession: SB4
DrugBank: DB04338
PubChem:
ChEMBL:
InChI Key: VSPFURGQAYMVAN-UHFFFAOYSA-N
SMILES: c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1BL7 | Download | Experimental | e1bl7A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |