Reaction Details Report a problem with these data
Target
Galectin-3
Ligand
BDBM50247482
Substrate
n/a
Meas. Tech.
ChEMBL_1677818 (CHEMBL4027961)
Kd
2.7±n/a nM
Citation
 Peterson, K; Kumar, R; Stenström, O; Verma, P; Verma, PR; Håkansson, M; Kahl-Knutsson, B; Zetterberg, F; Leffler, H; Akke, M; Logan, DT; Nilsson, UJ Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity. J Med Chem 61:1164-1175 (2018) [PubMed]  Article 
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:
BDBM50247482
Synonyms:
CHEMBL4065371
Type:
Small organic molecule
Emp. Form.:
C28H30F2N6O8S2
Mol. Mass.:
680.7
SMILES:
OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)cc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)cc1 |r|
Structure:
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