PDB ligand accession: 0C8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VKIURNGMKFWIQX-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3UP2 | Download | Experimental | e3up2A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |