PDB ligand accession: 1OB
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: GVDYBVYAFKPQRT-UHFFFAOYSA-N
SMILES: c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N
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 |
---|---|---|---|---|---|
4K18 | Download | Experimental | e4k18A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |