Reaction Details Report a problem with these data
Target
Beta-galactoside-binding lectin
Ligand
BDBM50401023
Substrate
n/a
Meas. Tech.
ChEMBL_884641 (CHEMBL2214657)
IC50
600000±n/a nM
Citation
 André, S; Jarikote, DV; Yan, D; Vincenz, L; Wang, GN; Kaltner, H; Murphy, PV; Gabius, HJ Synthesis of bivalent lactosides and their activity as sensors for differences between lectins in inter- and intrafamily comparisons. Bioorg Med Chem Lett 22:313-8 (2011) [PubMed]  Article 
Target
Name:
Beta-galactoside-binding lectin
Synonyms:
14 kDa lectin | C-14 | CG-1B | Galectin CG-1B | LEG4_CHICK
Type:
PROTEIN
Mol. Mass.:
15064.98
Organism:
Gallus gallus
Description:
ChEMBL_884641
Residue:
135
Sequence:
MSCQGPVCTNLGLKPGQRLTVKGIIAPNAKSFVMNLGKDSTHLGLHFNPRFDAHGDVNLIVCNSKKMEEWGTEQRETVFPFQKGAPIEITFSINPSDLTVHLPGHQFSFPNRLGLSVFDYFDTHGDFTLRSVSWE
  
Inhibitor
Name:
BDBM50401023
Synonyms:
CHEMBL2203663
Type:
Small organic molecule
Emp. Form.:
C82H102N8O30
Mol. Mass.:
1679.7229
SMILES:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]4C\C=C\C[C@@H]5O[C@H]([C@H](OCc6cn(nn6)[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](OCc6ccccc6)[C@@H]5OCc5ccccc5)C(=O)NCc5ccc(CNC(=O)[C@H]3O4)cc5)nn2)[C@H](O)[C@@H](O)[C@H]1O |r,t:45|
Structure:
Search PDB for entries with ligand similarity: