Reaction Details Report a problem with these data
Target
CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase
Ligand
BDBM50565989
Substrate
n/a
Meas. Tech.
ChEMBL_2094322 (CHEMBL4775585)
IC50
770±n/a nM
Citation
 Fu, CW; Tsai, HE; Chen, WS; Chang, TT; Chen, CL; Hsiao, PW; Li, WS Sialyltransferase Inhibitors Suppress Breast Cancer Metastasis. J Med Chem 64:527-542 (2021) [PubMed]  Article 
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:
BDBM50565989
Synonyms:
CHEMBL4798770
Type:
Small organic molecule
Emp. Form.:
C38H53N7O10
Mol. Mass.:
767.8683
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)[C@H](CC(O)=O)Nc1ccc([N+]([O-])=O)c2nonc12)[C@H](C)CCC(=O)OCCOCCN=[N+]=[N-] |r|
Structure:
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