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Target
Galectin-3
Ligand
BDBM541671
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
8.70±n/a nM
Citation
 Jalagam, PR; Nair, SK; Panda, M; Sarabu, R; Swidorski, J; Beno, BR; Regueiro-Ren, A Small molecule inhibitors of galectin-3 US Patent  US11267811 Publication Date 3/8/2022 
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:
BDBM541671
Synonyms:
US11267811, Example 313
Type:
Small organic molecule
Emp. Form.:
C24H19BrClF5N6O4
Mol. Mass.:
665.794
SMILES:
Cc1nnc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Br)c(F)c2)n1-c1cc(Cl)ccc1C(F)(F)F |r,wU:10.10,12.15,5.4,7.7,wD:13.14,(8.08,-1.9,;6.5,-2.1,;5.6,-3.34,;4.13,-2.87,;4.13,-1.33,;2.8,-.56,;2.8,.98,;1.46,1.75,;1.46,3.29,;.13,4.06,;.13,.98,;-1.2,1.75,;.13,-.56,;1.46,-1.33,;1.46,-2.87,;-1.2,-1.33,;-2.67,-.85,;-3.57,-2.1,;-2.67,-3.34,;-1.2,-2.87,;-5.06,-1.95,;-5.96,-3.2,;-7.49,-3.05,;-8.39,-4.3,;-8.13,-1.65,;-9.66,-1.5,;-7.23,-.4,;-7.87,1.01,;-5.7,-.55,;5.6,-.85,;5.99,.64,;4.9,1.73,;5.3,3.21,;4.21,4.3,;6.79,3.61,;7.88,2.52,;7.52,1,;8.61,-.09,;9.7,-1.18,;9.7,1,;7.52,-1.18,)|
Structure:
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