BDBM50327038 (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol::(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydropyrano[3,2-d]thiazole-6,7-diol::3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL::CHEMBL257158::N-acetylglucosamine thiazoline

SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1

InChI Key InChIKey=DRHXTSWSUAJOJZ-FMDGEEDCSA-N

Data  8 KI

PDB links: 17 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50327038   

TargetProtein O-GlcNAcase(Homo sapiens (Human))
Daegu University

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  10nMAssay Description:Inhibition of human O-GlcNAcase after 5 mins by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Daegu University

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  70nMAssay Description:Inhibition of human OGAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein O-GlcNAcase(Homo sapiens (Human))
Daegu University

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  180nMAssay Description:Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of pNP-beta-GlcNAc as substrate by Lineweaver-burk ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  190nMAssay Description:Inhibition of human HexBMore data for this Ligand-Target Pair
TargetBeta-hexosaminidase subunit alpha(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  270nMAssay Description:Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-A using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as re...More data for this Ligand-Target Pair
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  290nMAssay Description:Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-B using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as re...More data for this Ligand-Target Pair
TargetBeta-N-acetylhexosaminidase(Streptomyces plicatus)
The State University Of New Jersey

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  2.00E+4nMAssay Description:Inhibition of Streptomyces plicatus N-acetyl-hexosaminidaseMore data for this Ligand-Target Pair
TargetBeta-hexosaminidase subunit beta(Homo sapiens (Human))
China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50327038((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Affinity DataKi:  2.70E+5nMAssay Description:Inhibition of human beta hexosaminidaseMore data for this Ligand-Target Pair