PDB ligand accession: 4EE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YARXQDMQMCNVMB-UHFFFAOYSA-N
SMILES: CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Triazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4YJ3 | Download | Experimental | e4yj3A1 e4yj3A2 e4yj3B1 e4yj3B2 e4yj3C2 e4yj3D1 e4yj3D2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |