BDBM228802 5N,6S-(N'-butyliminomethylidene)-6-thio-1-deoxygalactonojirimycin::6S-NBI-DGJ

SMILES CCCC\N=C1/SC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)CN12

InChI Key InChIKey=JBCYQOOELVARNJ-XUYWLAQHSA-N

Data  3 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 228802   

TargetBeta-galactosidase [24-677,R201C](Homo sapiens (Human))
The University Of Tokyo

LigandPNGBDBM228802(5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...)
Affinity DataKi:  5.33E+4nM ΔG°:  -6.06kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-galactosidase [24-677](Homo sapiens (Human))
The University Of Tokyo

LigandPNGBDBM228802(5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...)
Affinity DataKi:  6.83E+4nM ΔG°:  -5.91kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBeta-galactosidase [24-677,I51T](Homo sapiens (Human))
The University Of Tokyo

LigandPNGBDBM228802(5N,6S-(N'-butyliminomethylidene)-6-thio-1-deox...)
Affinity DataKi:  6.88E+4nM ΔG°:  -5.90kcal/molepH: 4.5 T: 2°CAssay Description:β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB