Reaction Details Report a problem with these data
Target
Galectin
Ligand
BDBM50401022
Substrate
n/a
Meas. Tech.
ChEMBL_884637 (CHEMBL2214653)
IC50
78600000±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:
Galectin
Synonyms:
Galectin-3
Type:
PROTEIN
Mol. Mass.:
25677.43
Organism:
Gallus gallus
Description:
ChEMBL_884638
Residue:
241
Sequence:
MSDGFSLSDALPAHNPGAPPPQGWNRPPGPGAFPAYPGYPGAYPGAPGPYPGAPGPHHGPPGPYPGGPPGPYPGGPPGPYPGGPPGPYPGGPTAPYSEAPAAPLKVPYDLPLPAGLMPRLLITITGTVNSNPNRFSLDFKRGQDIAFHFNPRFKEDHKRVIVCNSMFQNNWGKEERTAPRFPFEPGTPFKLQVLCEGDHFKVAVNDAHLLQFNFREKKLNEITKLCIAGDITLTSVLTSMI
  
Inhibitor
Name:
BDBM50401022
Synonyms:
CHEMBL2203662
Type:
Small organic molecule
Emp. Form.:
C84H106N8O30
Mol. Mass.:
1707.776
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](CC=C)O[C@@H]3C(=O)NCc3ccc(CNC(=O)[C@@H]4O[C@@H](CC=C)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4cn(nn4)[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: