Reaction Details Report a problem with these data
Target
Trans-sialidase
Ligand
BDBM50467197
Substrate
n/a
Meas. Tech.
ChEMBL_1795334 (CHEMBL4267451)
IC50
2350000±n/a nM
Citation
 Chen, Z; Marcé, P; Resende, R; Alzari, PM; Frasch, AC; van den Elsen, JMH; Crennell, SJ; Watts, AG The synthesis and kinetic evaluation of aryl ?-aminophosphonates as novel inhibitors of T. cruzi trans-sialidase. Eur J Med Chem 158:25-33 (2018) [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:
BDBM50467197
Synonyms:
CHEMBL4289914
Type:
Small organic molecule
Emp. Form.:
C19H14F6NO3P
Mol. Mass.:
449.2835
SMILES:
OP(O)(=O)C(Nc1cccc2ccccc12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: