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Target
Galectin-3
Ligand
BDBM541675
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
14.0±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:
BDBM541675
Synonyms:
US11267811, Example 319
Type:
Small organic molecule
Emp. Form.:
C26H21Cl2F2N7O4
Mol. Mass.:
604.392
SMILES:
Cc1nnc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Cl)c(F)c2)n1-c1cc(Cl)cc2cccnc12 |r,wU:10.10,12.15,5.4,7.7,wD:13.14,(7.49,-1.82,;6,-2.1,;5.1,-3.34,;3.63,-2.87,;3.63,-1.33,;2.3,-.56,;2.3,.98,;.97,1.75,;.97,3.29,;-.37,4.06,;-.37,.98,;-1.7,1.75,;-.37,-.56,;.97,-1.33,;.97,-2.87,;-1.7,-1.33,;-3.17,-.85,;-4.07,-2.1,;-3.17,-3.34,;-1.7,-2.87,;-5.56,-1.95,;-6.46,-3.2,;-7.99,-3.05,;-8.89,-4.3,;-8.62,-1.65,;-9.96,-1.5,;-7.73,-.4,;-8.36,1.01,;-6.2,-.55,;5.1,-.85,;5.5,.64,;4.41,1.73,;4.81,3.21,;3.72,4.3,;6.29,3.61,;7.38,2.52,;8.87,2.92,;9.96,1.83,;9.56,.35,;8.07,-.05,;6.98,1.04,)|
Structure:
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