PDB ligand accession: 0SQ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PXDGOKVFTJDAPC-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=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 |
---|---|---|---|---|---|
5EHL | Download | Experimental | e5ehlA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |