Reaction Details Report a problem with these data
Target
Galectin-3
Ligand
BDBM50077225
Substrate
n/a
Meas. Tech.
ChEMBL_1925954 (CHEMBL4429026)
Kd
49000±n/a nM
Citation
Rajput, VK; MacKinnon, A; Mandal, S; Collins, P; Blanchard, H; Leffler, H; Sethi, T; Schambye, H; Mukhopadhyay, B; Nilsson, UJ A Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model. J Med Chem 59:8141-7 (2016) [PubMed] Article
More Info.:
Target
Name:
Galectin-3
Synonyms:
LEG3_HUMAN | LGALS3 | MAC2
Type:
Enzyme
Mol. Mass.:
26156.54
Organism:
Human
Description:
P17931
Residue:
250
Sequence:
MADNFSLHDALSGSGNPNPQGWPGAWGNQPAGAGGYPGASYPGAYPGQAPPGAYPGQAPPGAYPGAPGAYPGAPAPGVYPGPPSGPGAYPSSGQPSATGAYPATGPYGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Inhibitor
Name:
BDBM50077225
Synonyms:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]thio}tetrahydro-2H-pyran-3,4,5-triol | CHEMBL52011 | THIODIGALACTOSIDE
Type:
Small organic molecule
Emp. Form.:
C12H22O10S
Mol. Mass.:
358.362
SMILES:
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|