PDB ligand accession: CEL
DrugBank: DB00482
PubChem:
ChEMBL:
InChI Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F
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 | P00918_CEL | P00918 | inhibitor | Ki(nM) = 21.0 IC50(nM) = 21.0 |
2 | Q99519_CEL | Q99519 | inhibitor | |
3 | Q05769_CEL | Q05769 | n/a | IC50(nM) = 0.51 |
4 | P05979_CEL | P05979 | n/a | IC50(nM) = 3.7 |
5 | P24627_CEL | P24627 | n/a | |
6 | P07451_CEL | P07451 | inhibitor | Ki(nM) = 7400.0 |
7 | O15530_CEL | O15530 | inhibitor | IC50(nM) = 48000.0 |
8 | Q8N4Q0_CEL | Q8N4Q0 | n/a | |
9 | P35354_CEL | P35354 | inhibitor | Ki(nM) = 0.47 IC50(nM) = 0.52 Kd(nM) = 789.09 |