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Target
Galectin-1
Ligand
BDBM620327
Substrate
n/a
Meas. Tech.
Evaluation of Compound Inhibitory Activity (IC50)
IC50
220±n/a nM
Citation
 BOLLLI, M; GATFIELD, J; GRISOSTOMI, C; REMEN, L; SAGER, C; ZUMBRUNN, C SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES US Patent  US20230295182 Publication Date 9/21/2023 
Target
Name:
Galectin-1
Synonyms:
14 kDa lectin | Galaptin | HPL | LEG1_HUMAN | LGALS1 | Lactose-binding lectin 1 | Lectin galactoside-binding soluble 1 | Putative MAPK-activating protein PM12
Type:
beta galactoside-binding protein
Mol. Mass.:
14713.53
Organism:
Homo sapiens (Human)
Description:
P09382
Residue:
135
Sequence:
MACGLVASNLNLKPGECLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVCNSKDGGAWGTEQREAVFPFQPGSVAEVCITFDQANLTVKLPDGYEFKFPNRLNLEAINYMAADGDFKIKCVAFD
  
Inhibitor
Name:
BDBM620327
Synonyms:
(5r,8R)-3-(((2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-methoxy-4-(4- (2,3,4-trifluorophenyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H-pyran-2-yl)methyl)- 1-oxa-2-azaspiro[4.5]dec-2-ene-8-carbonitrile | US20230295182, Example 1.59
Type:
Small organic molecule
Emp. Form.:
C25H28F3N5O5
Mol. Mass.:
535.5155
SMILES:
CO[C@H]1[C@@H](CC2=NO[C@@]3(C2)CC[C@@H](CC3)C#N)O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(F)c(F)c1F |wU:8.7,23.26,18.20,21.23,wD:12.16,2.1,3.3,t:5,(1.42,-1.39,;1.42,-2.93,;2.75,-3.7,;2.75,-5.24,;1.42,-6.01,;.09,-5.24,;-.08,-3.71,;-1.58,-3.39,;-2.35,-4.72,;-1.32,-5.86,;-2.98,-6.13,;-4.51,-6.29,;-5.41,-5.04,;-4.79,-3.63,;-3.26,-3.47,;-6.95,-5.2,;-8.48,-5.36,;4.09,-6.01,;5.42,-5.24,;6.75,-6.01,;8.09,-5.24,;5.42,-3.7,;6.75,-2.93,;4.09,-2.93,;4.09,-1.39,;5.33,-.48,;4.86,.98,;3.32,.98,;2.84,-.48,;5.76,2.23,;7.29,2.07,;8.2,3.31,;7.57,4.72,;8.48,5.97,;6.04,4.88,;5.41,6.29,;5.14,3.63,;3.6,3.8,)|
Structure:
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