PDB ligand accession: H72
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LMGXQBQAUALFTB-UHFFFAOYSA-N
SMILES: c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6I83 | Download | Experimental | e6i83A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |