BDBM16242 2-{[4-(carboxymethyl)-3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0^{2,6}]trideca-1,6,8,10,12-pentaen-7-yl]carbonyloxy}acetic acid::naphtho[1,2-d]isothiazole acetic acid deriv. 3::{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid

SMILES c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O

InChI Key InChIKey=IXLBOIRSEDMRPI-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16242   

TargetAldo-keto reductase family 1 member B1(Human)
University of Marburg

LigandPNGBDBM16242(2-{[4-(carboxymethyl)-3,5,5-trioxo-5-thia-4-azatri...)
Affinity DataIC50: 550nMpH: 6.2 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/9/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)