PDB ligand accession: 1O5
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CITPEYUXGCJVRV-UHFFFAOYSA-N
SMILES: CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C
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 |
---|---|---|---|---|---|
3W1F | Download | Experimental | e3w1fA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |