Reaction Details Report a problem with these data
Target
Trans-sialidase
Ligand
BDBM84698
Substrate
n/a
Meas. Tech.
ChEMBL_1745495 (CHEMBL4180005)
IC50
600±n/a nM
Citation
 Marchiori, MF; Riul, TB; Oliveira Bortot, L; Andrade, P; Junqueira, GG; Foca, G; Doti, N; Ruvo, M; Dias-Baruffi, M; Carvalho, I; Campo, VL Binding of triazole-linked galactosyl arylsulfonamides to galectin-3 affects Trypanosoma cruzi cell invasion. Bioorg Med Chem 25:6049-6059 (2017) [PubMed]  Article 
Target
Name:
Trans-sialidase
Synonyms:
TCTS-154 | Trans-sialidase
Type:
PROTEIN
Mol. Mass.:
110095.63
Organism:
Trypanosoma cruzi
Description:
ChEMBL_117507
Residue:
1060
Sequence:
MGKTVVGASRMFWLMFFVPLLLALCPSEPAHALAPGSSRVELFKRQSSKVPFEKGGKVTERVVHSFRLPALVNVDGVMVAIADARYETSNDNSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPTVIVKGNKLYVLVGSYNSSRSYWTSHGDARDWDILLAVGEVTKSTAGGKITASIKWGSPVSLKEFFPAEMEGMHTNQFLGGAGVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGEGRSDFGCSEPVALEWEGKLIINTRVDYRRRLVYESSDMGNSWVEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMRVMLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEINSNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTPADPAASSSERGCGPAVTTVGLVGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAGVGGGALWPVSQQGQNQRYHFANHAFTLVASVTIHEVPSVASPLLGASLDSSGGKKLLGLSYDEKHQWQPIYGSTPVTPTGSWEMGKRYHVVLTMANKIGSVYIDGEPLEGSGQTVVPDGRTPDISHFYVGGYGRSDMPTISHVTVNNVLLYNRQLNAEEIRTLFLSQDLIGTEAHMGSSSGSSAHSTPSTPADNGAHSTPSTPADSSAHSTPSTPADSSAHSTPSAPGDNGAHSTPSTPGDSSAHSTPSTPADNGAHSTPSAPADSNAHSTPSTPADNGAHSTPSTPADNGAHSTPSTPGDNGAHSTPSTPGDSSAHSTPSTPADNGAHSTPSAPADSNAHSTPSTPGDNGAHSTPSAPADSNAHSTPSTPADSSAHSTPSAPGDNGAHSTPSAPADSSAHSTPSAPGDNGAHSTPSAPADNGAHSTPSAPGDSNAHSTPSTPADSSAHSTPSTPADSSAHSTPSAPGDNGAHSTPSAPADSSAHSTPSIPGDSSAHSTPSAPADSSAHSTPSAPGDNGAHSTPSTPADNGANGTVLILHDGAAFSAFSGGGLLLCAGALLLHVFVMAVFF
  
Inhibitor
Name:
BDBM84698
Synonyms:
Quinolinone derivative, 9
Type:
Small organic molecule
Emp. Form.:
C29H23NO7S
Mol. Mass.:
529.56
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C(\C(=C/c2ccc(O)c(O)c2)C(=O)c2ccccc12)c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: