Reaction Details Report a problem with these data
Target
Myelin-associated glycoprotein
Ligand
BDBM50327099
Substrate
n/a
Meas. Tech.
ChEMBL_663794 (CHEMBL1250694)
Kd
500±n/a nM
Citation
Schwardt, O; Koliwer-Brandl, H; Zimmerli, R; Mesch, S; Rossato, G; Spreafico, M; Vedani, A; Kelm, S; Ernst, B Design, synthesis, biological evaluation, and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein. Bioorg Med Chem 18:7239-51 (2010) [PubMed] Article
More Info.:
Target
Name:
Myelin-associated glycoprotein
Synonyms:
MAG_MOUSE | Mag | Siglec-4a
Type:
PROTEIN
Mol. Mass.:
69368.91
Organism:
Mus musculus
Description:
ChEMBL_663794
Residue:
627
Sequence:
MIFLATLPLFWIMISASRGGHWGAWMPSTISAFEGTCVSIPCRFDFPDELRPAVVHGVWYFNSPYPKNYPPVVFKSRTQVVHESFQGRSRLLGDLGLRNCTLLLSTLSPELGGKYYFRGDLGGYNQYTFSEHSVLDIVNTPNIVVPPEVVAGTEVEVSCMVPDNCPELRPELSWLGHEGLGEPTVLGRLREDEGTWVQVSLLHFVPTREANGHRLGCQAAFPNTTLQFEGYASLDVKYPPVIVEMNSSVEAIEGSHVSLLCGADSNPPPLLTWMRDGMVLREAVAKSLYLDLEEVTPGEDGVYACLAENAYGQDNRTVELSVMYAPWKPTVNGTVVAVEGETVSILCSTQSNPDPILTIFKEKQILATVIYESQLQLELPAVTPEDDGEYWCVAENQYGQRATAFNLSVEFAPIILLESHCAAARDTVQCLCVVKSNPEPSVAFELPSRNVTVNETEREFVYSERSGLLLTSILTIRGQAQAPPRVICTSRNLYGTQSLELPFQGAHRLMWAKIGPVGAVVAFAILIAIVCYITQTRRKKNVTESSSFSGGDNPHVLYSPEFRISGAPDKYESEKQRLGSERRLLGLRGESPELDLSYSHSDLGKRPTKDSYTLTEELAEYAEIRVK
Inhibitor
Name:
BDBM50327099
Synonyms:
CHEMBL1253679 | sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4-chlorobenzamido)-1,2-dihydroxypropyl)-2-(2,3-difluorobenzyloxy)-5-(2-fluoroacetamido)-4-hydroxytetrahydro-2H-pyran-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C25H25ClF3N2O9
Mol. Mass.:
589.923
SMILES:
O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O |r|