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.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12021   

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-...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cc(F)cc1F Show InChI InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)	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)