Reaction Details | |||
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Target | Galectin-3 | ||
Ligand | BDBM50272418 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_510248 (CHEMBL1008161) | ||
IC50 | 160000±n/a nM | ||
Citation | Giguère, D; Bonin, MA; Cloutier, P; Patnam, R; St-Pierre, C; Sato, S; Roy, R Synthesis of stable and selective inhibitors of human galectins-1 and -3. Bioorg Med Chem16:7811-23 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Galectin-3 | |||
Name: | Galectin-3 | ||
Synonyms: | LEG3_HUMAN | LGALS3 | MAC2 | ||
Type: | Enzyme | ||
Mol. Mass.: | 26156.54 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P17931 | ||
Residue: | 250 | ||
Sequence: |
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BDBM50272418 | |||
n/a | |||
Name | BDBM50272418 | ||
Synonyms: | (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-((1-((2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-4,5-dihydroxy-2-(hydroxymethyl)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol | CHEMBL508204 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H45N3O20S | ||
Mol. Mass. | 763.719 | ||
SMILES | OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCc3cn(nn3)[C@H]3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| | ||
Structure |