BDBM84878 Fucosidase Inhibitor, 4

SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O

InChI Key InChIKey=NQPIYVRYYGVNCF-UHFFFAOYSA-N

Data  4 Kd  4 ITC

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 84878   

TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron )
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Affinity DataKd:  46.6nMpH: 6.0 T: 37°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron )
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Affinity DataKd:  157nMpH: 8.5 T: 37°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron )
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Affinity DataKd:  63.3nMpH: 7.0 T: 37°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron )
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Affinity DataKd:  60nMpH: 6.5 T: 37°CAssay Description:The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrop...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 84878   

CellAlpha-fucosidase(Bacteroides thetaiotaomicron )
University of York

SyringePNGBDBM84878(Fucosidase Inhibitor, 4)
ITC DataΔG°: -10.0kcal/mole −TΔS°: 0.742kcal/mole ΔH°: -3.82kcal/mole
pH: 6.0 T: -236.15°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAlpha-fucosidase(Bacteroides thetaiotaomicron )
University of York

SyringePNGBDBM84878(Fucosidase Inhibitor, 4)
ITC DataΔG°: -10.0kcal/mole −TΔS°: 0.424kcal/mole ΔH°: -6.45kcal/mole
pH: 6.5 T: -236.15°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAlpha-fucosidase(Bacteroides thetaiotaomicron )
University of York

SyringePNGBDBM84878(Fucosidase Inhibitor, 4)
ITC DataΔG°: -9.79kcal/mole −TΔS°: 0.00884kcal/mole ΔH°: -9.79kcal/mole
pH: 6.5 T: -236.15°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
CellAlpha-fucosidase(Bacteroides thetaiotaomicron )
University of York

SyringePNGBDBM84878(Fucosidase Inhibitor, 4)
ITC DataΔG°: -9.31kcal/mole −TΔS°: -0.0884kcal/mole ΔH°: -8.60kcal/mole
pH: 6.5 T: -236.15°C 
Syringe InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed