Reaction Details Report a problem with these data
Target
Galectin-9
Ligand
BDBM50574701
Substrate
n/a
Meas. Tech.
ChEMBL_2123015 (CHEMBL4832248)
Kd
45000±n/a nM
Citation
 Hassan, M; van Klaveren, S; Håkansson, M; Diehl, C; Kova?i?, R; Baussière, F; Sundin, AP; Dernov?ek, J; Walse, B; Zetterberg, F; Leffler, H; Anderluh, M; Toma?i?, T; Jakopin, ?; Nilsson, UJ Benzimidazole-galactosides bind selectively to the Galectin-8 N-Terminal domain: Structure-based design and optimisation. Eur J Med Chem 223:0 (2021) [PubMed]  Article 
Target
Name:
Galectin-9
Synonyms:
LEG9_HUMAN | LGALS9
Type:
PROTEIN
Mol. Mass.:
39532.33
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454626
Residue:
355
Sequence:
MAFSGSQAPYLSPAVPFSGTIQGGLQDGLQITVNGTVLSSSGTRFAVNFQTGFSGNDIAFHFNPRFEDGGYVVCNTRQNGSWGPEERKTHMPFQKGMPFDLCFLVQSSDFKVMVNGILFVQYFHRVPFHRVDTISVNGSVQLSYISFQNPRTVPVQPAFSTVPFSQPVCFPPRPRGRRQKPPGVWPANPAPITQTVIHTVQSAPGQMFSTPAIPPMMYPHPAYPMPFITTILGGLYPSKSILLSGTVLPSAQRFHINLCSGNHIAFHLNPRFDENAVVRNTQIDNSWGSEERSLPRKMPFVRGQSFSVWILCEAHCLKVAVDGQHLFEYYHRLRNLPTINRLEVGGDIQLTHVQT
  
Inhibitor
Name:
BDBM50574701
Synonyms:
CHEMBL4858277
Type:
Small organic molecule
Emp. Form.:
C22H22Cl2N2O7S
Mol. Mass.:
529.39
SMILES:
Cn1c(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)nc2ccc(cc12)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: