Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with Target = 'Alpha-fucosidase-like protein'
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Affinity DataKd:  14.8nMpH: 6.0 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
Affinity DataKd:  46.6nMpH: 6.0 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Affinity DataKd:  27nMpH: 6.5 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
Affinity DataKd:  157nMpH: 8.5 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Affinity DataKd:  55.1nMpH: 7.0 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
Affinity DataKd:  63.3nMpH: 7.0 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM50065258((2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol | (2...)
Show SMILES C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
Affinity DataKd:  372nMpH: 8.5 T: 2°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
TargetAlpha-fucosidase-like protein(Bacteroides thetaiotaomicron)
University of York

LigandPNGBDBM84878(Fucosidase Inhibitor, 4)
Show SMILES CC1NC(CNC(=O)c2cccc3-c4ccccc4C(=O)c23)C(O)C(O)C1O
Show InChI InChI=1S/C21H22N2O5/c1-10-17(24)20(27)19(26)15(23-10)9-22-21(28)14-8-4-7-12-11-5-2-3-6-13(11)18(25)16(12)14/h2-8,10,15,17,19-20,23-24,26-27H,9H2,1H3,(H,22,28)
Affinity DataKd:  60nMpH: 6.5 T: 2°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