PDB ligand accession: LUG
DrugBank: DB08130
PubChem:
ChEMBL:
InChI Key: FPDWDLAITHFTTP-UHFFFAOYSA-N
SMILES: c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3EQB | Download | Experimental | e3eqbA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |