BDBM12015 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE::4-fluoro-SBB::N-[(4-fluorophenyl)methyl]-4-sulfamoylbenzamide

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI Key: InChIKey=IXDVPACDZDRCTN-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer. 6 PDB IDs contain this monomer as substructures. 6 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 = 12015   

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))	BDBM12015 (4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZA...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)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	3.30	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)