PDB ligand accession: 3EW
DrugBank: DB11689
PubChem:
ChEMBL:
InChI Key: CYOHGALHFOKKQC-UHFFFAOYSA-N
SMILES: Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: None
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7JUT | Download | Experimental | e7jutC1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7JUZ | Download | Experimental | e7juzC1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |