Reaction Details |
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Target | Galectin-3 |
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Ligand | BDBM50581778 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2152217 (CHEMBL5036764) |
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IC50 | 149±n/a nM |
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Citation | Xu, L; Hartz, RA; Beno, BR; Ghosh, K; Shukla, JK; Kumar, A; Patel, D; Kalidindi, N; Lemos, N; Gautam, SS; Kumar, A; Ellsworth, BA; Shah, D; Sale, H; Cheng, D; Regueiro-Ren, A Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors. J Med Chem64:6634-6655 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Galectin-3 |
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Name: | Galectin-3 |
Synonyms: | LEG3_MOUSE | Lgals3 |
Type: | PROTEIN |
Mol. Mass.: | 27519.08 |
Organism: | Mus musculus |
Description: | ChEMBL_302220 |
Residue: | 264 |
Sequence: | MADSFSLNDALAGSGNPNPQGYPGAWGNQPGAGGYPGAAYPGAYPGQAPPGAYPGQAPPG
AYPGQAPPSAYPGPTAPGAYPGPTAPGAYPGQPAPGAFPGQPGAPGAYPQCSGGYPAAGP
YGVPAGPLTVPYDLPLPGGVMPRMLITIMGTVKPNANRIVLDFRRGNDVAFHFNPRFNEN
NRRVIVCNTKQDNNWGKEERQSAFPFESGKPFKIQVLVEADHFKVAVNDAHLLQYNHRMK
NLREISQLGISGDITLTSANHAMI
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BDBM50581778 |
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n/a |
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Name | BDBM50581778 |
Synonyms: | CHEMBL5090468 |
Type | Small organic molecule |
Emp. Form. | C27H29F3N8O7S |
Mol. Mass. | 666.629 |
SMILES | [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnc(OC)nc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| |
Structure |
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