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Target
Galectin-1
Ligand
BDBM50581778
Substrate
n/a
Meas. Tech.
ChEMBL_2152219 (CHEMBL5036766)
IC50
296±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-1
Synonyms:
14 kDa lectin | Galaptin | HPL | LEG1_HUMAN | LGALS1 | Lactose-binding lectin 1 | Lectin galactoside-binding soluble 1 | Putative MAPK-activating protein PM12
Type:
beta galactoside-binding protein
Mol. Mass.:
14713.53
Organism:
Homo sapiens (Human)
Description:
P09382
Residue:
135
Sequence:
MACGLVASNLNLKPGECLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVCNSKDGGAWGTEQREAVFPFQPGSVAEVCITFDQANLTVKLPDGYEFKFPNRLNLEAINYMAADGDFKIKCVAFD
  
Inhibitor
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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