Reaction Details Report a problem with these data
Target
Beta-galactoside alpha-2,6-sialyltransferase 1
Ligand
BDBM50559955
Substrate
n/a
Meas. Tech.
ChEMBL_2070766 (CHEMBL4726300)
Ki
29±n/a nM
Citation
 Montgomery, AP; Dobie, C; Szabo, R; Hallam, L; Ranson, M; Yu, H; Skropeta, D Design, synthesis and evaluation of carbamate-linked uridyl-based inhibitors of human ST6Gal I. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Beta-galactoside alpha-2,6-sialyltransferase 1
Synonyms:
2.4.99.1 | Alpha 2,6-ST 1 | CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,6-sialyltransferase 1 | SIAT1_RAT | ST6Gal I | ST6GalI | Sialyltransferase 1 | Siat1 | St6gal1
Type:
PROTEIN
Mol. Mass.:
46766.92
Organism:
Rattus norvegicus
Description:
ChEMBL_12371
Residue:
403
Sequence:
MIHTNLKKKFSLFILVFLLFAVICVWKKGSDYEALTLQAKEFQMPKSQEKVAMGSASQVVFSNSKQDPKEDIPILSYHRVTAKVKPQPSFQVWDKDSTYSKLNPRLLKIWRNYLNMNKYKVSYKGPGPGVKFSVEALRCHLRDHVNVSMIEATDFPFNTTEWEGYLPKENFRTKVGPWQRCAVVSSAGSLKNSQLGREIDNHDAVLRFNGAPTDNFQQDVGSKTTIRLMNSQLVTTEKRFLKDSLYTEGILIVWDPSVYHADIPKWYQKPDYNFFETYKSYRRLNPSQPFYILKPQMPWELWDIIQEISADLIQPNPPSSGMLGIIIMMTLCDQVDIYEFLPSKRKTDVCYYHQKFFDSACTMGAYHPLLFEKNMVKHLNEGTDEDIYLFGKATLSGFRNIRC
  
Inhibitor
Name:
BDBM50559955
Synonyms:
CHEMBL4776007
Type:
Small organic molecule
Emp. Form.:
C23H27N4Na3O15P2
Mol. Mass.:
730.3951
SMILES:
[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@@H](-[#8])-[#6]=[#6](-[#8]-[#6@@H]-1-[#8]-c1ccccc1)-[#6@@H](-[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1ccc(-[#7])nc1=O)P([#8-])([#8-])=O |r,c:7|
Structure:
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