Reaction Details Report a problem with these data
Target
Galectin-1
Ligand
BDBM620358
Substrate
n/a
Meas. Tech.
Evaluation of Compound Inhibitory Activity (IC50)
IC50
310±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:
BDBM620358
Synonyms:
N-((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-en-8-yl)acetamide | US20230295182, Example 2.08
Type:
Small organic molecule
Emp. Form.:
C26H32F3N5O6
Mol. Mass.:
567.5574
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(F)c(F)c1F |wU:8.7,25.28,20.22,23.25,wD:2.1,3.3,12.16,t:5,(-1.87,1.39,;-1.87,2.93,;-3.21,3.7,;-3.21,5.24,;-1.87,6.01,;-.54,5.24,;-.38,3.71,;1.13,3.39,;1.9,4.72,;.87,5.86,;2.53,6.13,;4.06,6.29,;4.96,5.04,;4.34,3.63,;2.8,3.47,;6.49,5.2,;7.4,3.96,;8.93,4.12,;6.77,2.55,;-4.54,6.01,;-5.87,5.24,;-7.21,6.01,;-8.54,5.24,;-5.87,3.7,;-7.21,2.93,;-4.54,2.93,;-4.54,1.39,;-5.79,.48,;-5.31,-.98,;-3.77,-.98,;-3.29,.48,;-6.21,-2.23,;-7.75,-2.07,;-8.65,-3.31,;-8.03,-4.72,;-8.93,-5.97,;-6.49,-4.88,;-5.87,-6.29,;-5.59,-3.63,;-4.06,-3.8,)|
Structure:
Search PDB for entries with ligand similarity: