PDB ligand accession: JK2
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GYQLVKWGHKBDMP-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3FI3 | Download | Experimental | e3fi3A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |