PDB ligand accession: 133
DrugBank: DB06855
PubChem:
ChEMBL:
InChI Key: NSUDDASMRZSVON-UHFFFAOYSA-N
SMILES: [H]N=C(c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: Phenylbenzimidazoles
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1GJ8 | Download | Experimental | e1gj8.1 | cradle loop barrel | LigPlot |