BDBM12021 2,4,6-trifluoro-SBB::4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE::4-sulfamoyl-N-[(2,4,6-trifluorophenyl)methyl]benzamide
SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cc(F)cc1F
InChI Key: InChIKey=DVTYOTODFLDHRL-UHFFFAOYSA-N
Data: 1 Kd
PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic Anhydrase II Mutant (F131V) (Homo sapiens (Human)) | BDBM12021 (2,4,6-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,4,6-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 3.90 | n/a | n/a | n/a | 7.4 | 37 |
University of Pennsylvania | Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ... | J Am Chem Soc 123: 9620-7 (2001) Article DOI: 10.1021/ja011034p BindingDB Entry DOI: 10.7270/Q2QZ286J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |