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SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1
InChI Key InChIKey=SXGQGHHNOWYMRT-UHFFFAOYSA-N
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.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 5 hits for monomerid = 16297
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus)
Stony Brook University
Stony Brook University
Affinity DataKi: 0.0100nMpH: 7.5Assay Description:ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 2.70nM ΔG°: -11.7kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constant binding to E-NAD+More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
SUNY Stony Brook
SUNY Stony Brook
Affinity DataKi: 9.40nM ΔG°: -10.8kcal/molepH: 6.8 T: 2°CAssay Description:Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...More data for this Ligand-Target Pair
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Burkholderia pseudomallei)
Stony Brook University
Stony Brook University
Affinity DataKi: 138nM ΔG°: -9.35kcal/molepH: 8.0 T: 2°CAssay Description:Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1...More data for this Ligand-Target Pair
Affinity DataKi: 331nM ΔG°: -8.83kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition constant binding to E-NADHMore data for this Ligand-Target Pair