BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGalectin-3
LigandBDBM632543
Substrate/Competitorn/a
Meas. Tech.Biological Assay
IC50 25.3±n/a nM
Citation BOLLI, MGATFIELD, JGRISOSTOMI, CREMEN, LSAGER, CZUMBRUNN, C GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES US Patent US20230348442 Publication Date 11/2/2023
More Info.:Get all data from this article,  Assay Method
 
Galectin-3
Name:Galectin-3
Synonyms:LEG3_HUMAN | LGALS3 | MAC2
Type:Enzyme
Mol. Mass.:26156.54
Organism:Homo sapiens (Human)
Description:P17931
Residue:250
Sequence:
MADNFSLHDALSGSGNPNPQGWPGAWGNQPAGAGGYPGASYPGAYPGQAPPGAYPGQAPP
GAYPGAPGAYPGAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGPYGAPAGPLIVPYNL
PLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNN
WGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDI
DLTSASYTMI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM632543
n/a
NameBDBM632543
Synonyms:(2R,3R,4S,5R,6R)-2-((3-chloro-5-cyanophenyl)((1S,2S)-2- hydroxycyclopentyl)carbamoyl)-5-hydroxy-6-(hydroxymethyl)-4-(4-(3,4,5- trifluorophenyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H-pyran-3-yl acetate | US20230348442, Example 1A.1.4
TypeSmall organic molecule
Emp. Form.C29H27ClF3N5O7
Mol. Mass.650.002
SMILESCC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(c1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: