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Target
Galectin-3
Ligand
BDBM50581771
Substrate
n/a
Meas. Tech.
ChEMBL_2152217 (CHEMBL5036764)
IC50
327±n/a nM
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 Chem 64:6634-6655 (2021) [PubMed]  Article 
Target
Name:
Galectin-3
Synonyms:
LEG3_MOUSE | Lgals3
Type:
PROTEIN
Mol. Mass.:
27519.08
Organism:
Mus musculus
Description:
ChEMBL_302220
Residue:
264
Sequence:
MADSFSLNDALAGSGNPNPQGYPGAWGNQPGAGGYPGAAYPGAYPGQAPPGAYPGQAPPGAYPGQAPPSAYPGPTAPGAYPGPTAPGAYPGQPAPGAFPGQPGAPGAYPQCSGGYPAAGPYGVPAGPLTVPYDLPLPGGVMPRMLITIMGTVKPNANRIVLDFRRGNDVAFHFNPRFNENNRRVIVCNTKQDNNWGKEERQSAFPFESGKPFKIQVLVEADHFKVAVNDAHLLQYNHRMKNLREISQLGISGDITLTSANHAMI
  
Inhibitor
Name:
BDBM50581771
Synonyms:
CHEMBL5081635
Type:
Small organic molecule
Emp. Form.:
C30H32F3N7O7S
Mol. Mass.:
691.678
SMILES:
[H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(NC(C)=O)c1)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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