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Target
Galectin-3
Ligand
BDBM541674
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
11.0±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:
BDBM541674
Synonyms:
US11267811, Example 318
Type:
Small organic molecule
Emp. Form.:
C26H21BrClF2N7O4
Mol. Mass.:
648.843
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)cc2cccnc12 |r,wU:10.10,12.15,5.4,7.7,wD:13.14,(7.43,-1.82,;5.94,-2.1,;5.04,-3.34,;3.57,-2.87,;3.57,-1.33,;2.24,-.56,;2.24,.98,;.91,1.75,;.91,3.29,;-.43,4.06,;-.43,.98,;-1.76,1.75,;-.43,-.56,;.91,-1.33,;.91,-2.87,;-1.76,-1.33,;-3.23,-.85,;-4.13,-2.1,;-3.23,-3.34,;-1.76,-2.87,;-5.62,-1.95,;-6.52,-3.2,;-8.05,-3.05,;-8.95,-4.3,;-8.68,-1.65,;-9.9,-1.5,;-7.79,-.4,;-8.42,1.01,;-6.26,-.55,;5.04,-.85,;5.44,.64,;4.35,1.73,;4.75,3.21,;3.66,4.3,;6.23,3.61,;7.32,2.52,;8.81,2.92,;9.9,1.83,;9.5,.35,;8.01,-.05,;6.92,1.04,)|
Structure:
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