PDB ligand accession: 1AU
DrugBank: DB06882
PubChem:
ChEMBL:
InChI Key: HJWMLCDGRWWLAQ-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P12931_1AU | P12931 | n/a | |
2 | Q16539_1AU | Q16539 | n/a | IC50(nM) = 90.0 Kd(nM) = 12.0 |
3 | P00523_1AU | P00523 | n/a | IC50(nM) = 64100.0 |