BDBM12014 2-fluoro-SBB::4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE::N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1F

InChI Key: InChIKey=ULYMHSXFSKOHGH-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 2 PDB IDs match this monomer. 10 PDB IDs contain this monomer as substructures. 10 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12014   

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))	BDBM12014 (2-fluoro-SBB | 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENY...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1F Show InChI InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.30	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)