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Target
Galectin-3
Ligand
BDBM632544
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
12.9±n/a nM
Citation
 BOLLI, M; GATFIELD, J; GRISOSTOMI, C; REMEN, L; SAGER, C; ZUMBRUNN, C GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES US Patent  US20230348442 Publication Date 11/2/2023 
Target
Name:
Galectin-3
Synonyms:
LEG3_HUMAN | LGALS3 | MAC2
Type:
Enzyme
Mol. Mass.:
26156.54
Organism:
Homo sapiens (Human)
Description:
P17931
Residue:
250
Sequence:
MADNFSLHDALSGSGNPNPQGWPGAWGNQPAGAGGYPGASYPGAYPGQAPPGAYPGQAPPGAYPGAPGAYPGAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGPYGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
  
Inhibitor
Name:
BDBM632544
Synonyms:
(2R,3R,4S,5R,6R)-2-((3,5-dichlorophenyl)((1S,2S)-2- hydroxycyclopentyl)carbamoyl)-4-(4-(3,5-difluoro-4-methylphenyl)-1H-1,2,3- triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl acetate | US20230348442, Example 1A.4.2
Type:
Small organic molecule
Emp. Form.:
C29H30Cl2F2N4O7
Mol. Mass.:
655.474
SMILES:
CC(=O)O[C@H]1[C@@H](O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(C)c(F)c1)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1
Structure:
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