BDBM16240 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide::4-(carboxymethyl)-3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0^{2,6}]trideca-1,6,8,10,12-pentaene-7-carboxylic acid::naphtho[1,2-d]isothiazole acetic acid deriv. 2

SMILES: OC(=O)CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O

InChI Key: InChIKey=ZTJGXDGAXGWOGR-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 = 16240   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16240 (2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]i...) Show SMILES OC(=O)CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O Show InChI InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	6.2	30
University of Marburg					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...				J Mol Biol 369: 186-97 (2007) Article DOI: 10.1016/j.jmb.2007.03.021 BindingDB Entry DOI: 10.7270/Q2BK19MR
					More data for this Ligand-Target Pair				3D Structure (crystal)