PDB ligand accession: AWF
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZRJMPUZTCOUGJH-CYBMUJFWSA-N
SMILES: Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F
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 |
---|---|---|---|---|---|
4CCU | Download | Experimental | e4ccuA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |