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Target
Galectin-1
Ligand
BDBM620356
Substrate
n/a
Meas. Tech.
Evaluation of Compound Inhibitory Activity (IC50)
IC50
340±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:
BDBM620356
Synonyms:
N-((5r,8R)-3-(((2R,3R,4S,5R,6R)-4-(4-(2,3-difluoro-4-methylphenyl)-1H-1,2,3- triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)-3-methoxytetrahydro-2H-pyran-2- yl)methyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)acetamide | US20230295182, Example 2.06
Type:
Small organic molecule
Emp. Form.:
C27H35F2N5O6
Mol. Mass.:
563.5935
SMILES:
CO[C@H]1[C@@H](CC2=NO[C@@]3(C2)CC[C@@H](CC3)NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1F |wU:25.28,23.25,20.22,8.7,wD:12.16,3.3,2.1,t:5,(-4.98,-3.62,;-3.74,-2.72,;-3.9,-1.18,;-2.65,-.28,;-1.25,-.91,;;,1.54,;1.46,2.02,;2.37,.77,;1.46,-.48,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;7.76,2.1,;9.3,2.1,;6.99,3.44,;-2.81,1.25,;-4.22,1.88,;-4.38,3.41,;-3.14,4.32,;-5.47,.97,;-6.87,1.6,;-5.31,-.56,;-6.55,-1.46,;-8.02,-.99,;-8.92,-2.23,;-8.02,-3.48,;-6.55,-3,;-10.46,-2.23,;-11.23,-3.57,;-12.77,-3.57,;-13.54,-2.23,;-15.08,-2.23,;-12.77,-.9,;-13.54,.43,;-11.23,-.9,;-10.46,.43,)|
Structure:
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