Reaction Details
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CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase
Ligand
BDBM50324493
Substrate
n/a
Meas. Tech.
ChEMBL_649270 (CHEMBL1218968)
IC50
8200±n/a nM
Citation
Hosoguchi, K; Maeda, T; Furukawa, J; Shinohara, Y; Hinou, H; Sekiguchi, M; Togame, H; Takemoto, H; Kondo, H; Nishimura, S An efficient approach to the discovery of potent inhibitors against glycosyltransferases. J Med Chem 53:5607-19 (2010) [PubMed] Article More Info.:
Target
Name:
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase
Synonyms:
SIAT6_RAT | Siat6 | St3gal3
Type:
PROTEIN
Mol. Mass.:
42091.50
Organism:
Rattus norvegicus
Description:
ChEMBL_649270
Residue:
374
Sequence:
MGLLVFVRNLLLALCLFLVLGFLYYSAWKLHLLQWEDSNSLILSLDSAGQTLGTEYDRLGFLLKLDSKLPAELATKYANFSEGACKPGYASAMMTAIFPRFSKPAPMFLDDSFRKWARIREFVPPFGIKGQDNLIKAILSVTKEYRLTPALDSLHCRRCIIVGNGGVLANKSLGSRIDDYDIVIRLNSAPVKGFEKDVGSKTTLRITYPEGAMQRPEQYERDSLFVLAGFKWQDFKWLKYIVYKERVSASDGFWKSVATRVPKEPPEIRILNPYFIQEAAFTLIGLPFNNGLMGRGNIPTLGSVAVTMALDGCDEVAVAGFGYDMNTPNAPLHYYETVRMAAIKESWTHNIQREKEFLRKLVKARVITDLSSGI
Inhibitor
Name:
BDBM50324493
Synonyms:
CHEMBL1214872 | Cytidine-5'-monophospho-5-(2-(4-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6Hcyclopenta[a]phenanthren-17-yl)-1H-1,2,3-triazol-1-yl)acetamido)-3,5-dideoxy-beta-D-glycero-alpha-D-galacto-non-2-ulosonic Acid disodium salt
Type:
Small organic molecule
Emp. Form.:
C40H52N7O18P
Mol. Mass.:
949.8518
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(CC(=O)N[C@@H]2[C@@H](O)C[C@](OP([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(N)nc3=O)(O[C@H]2[C@H](O)[C@H](O)CO)C([O-])=O)nn1 |r|
Structure:
