Reaction Details Report a problem with these data
Target
Galectin-3
Ligand
BDBM632550
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
22.7±n/a nM
Citation
BOLLI, M; GATFIELD, J; GRISOSTOMI, C; REMEN, L; SAGER, C; ZUMBRUNN, C GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1-CARBAMOYL DERIVATIVES US Patent US20230348442 Publication Date 11/2/2023
More Info.:
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:
BDBM632550
Synonyms:
(2R,3R,4S,5R,6R)-N-(3,5-dichlorophenyl)-4-(4-(3,5-difluoro-4-methylphenyl)- 1H-1,2,3-triazol-1-yl)-3,5-dihydroxy-N-((1S,2S)-2-hydroxycyclopentyl)-6- (hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide | US20230348442, Example 1H.4.2
Type:
Small organic molecule
Emp. Form.:
C27H28Cl2F2N4O6
Mol. Mass.:
613.437
SMILES:
Cc1c(F)cc(cc1F)-c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@H]([C@@H]1O)C(=O)N([C@H]1CCC[C@@H]1O)c1cc(Cl)cc(Cl)c1