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: inhibitor
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 |
---|---|---|---|---|---|
4U7Z | Download | Experimental | e4u7zA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7M0T | Download | Experimental | e7m0tB1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |