PDB ligand accession: 9NX
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DARDDBZKGVEVKB-VXLYETTFSA-N
SMILES: COc1cc(c(cc1O)Br)C=Nn2c(nnc2SC)c3ccccc3
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 |
---|---|---|---|---|---|
6A1C | Download | Experimental | e6a1cA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |