PDB ligand accession: 1TR
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HEPQZLAAWOEYMZ-UHFFFAOYSA-N
SMILES: CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F
Drug action: n/a
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 |
---|---|---|---|---|---|
5FET | Download | Experimental | e5fetA5 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |