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Target
Neuraminidase
Ligand
BDBM50428077
Substrate
n/a
Meas. Tech.
ChEMBL_941624 (CHEMBL2330706)
IC50
>1000000±n/a nM
Citation
 Zhang, Y; Albohy, A; Zou, Y; Smutova, V; Pshezhetsky, AV; Cairo, CW Identification of selective inhibitors for human neuraminidase isoenzymes using C4,C7-modified 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (DANA) analogues. J Med Chem 56:2948-58 (2013) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
nanH
Type:
PROTEIN
Mol. Mass.:
88686.49
Organism:
Vibrio cholerae
Description:
ChEMBL_941624
Residue:
807
Sequence:
MSIKMTSQRRRASIHKETDSNIKGVDMRFKNVKKTALMLAMFGMATSSNAALFDYNATGDTEFDSPAKQGWMQDNTNNGSGVLTNADGMPAWLVQGNGGRAQWTYSLSTNQHAQASSFGWRMTTEMKVLSGGMITNYYANGTQRVLPIISLDSSGNLVVEFEGQTGRTILATGTAATEYHKFELVFLPGSNPSASFYFDGKLIRDNIQPTASKQNMIVWGNGSSNTDGVAAYRDIKFEIQGDVIFRGPDRIPSIVASSVTPGVVTAFAEKRVGGGDPGALSNTNDIITRTSRDGGITWDTELNLTEQINVSDEFDFSDPRPIYDPSTNTVLVSYARWPTDAAQNGDRIKPWMPNGIFYSVYDVASGNWRAPIDVTDQVKERSFQIAGWGGSELYRRNTNLNSQQDWQSNAKIRIVDGAANQIQVADGGRKYVFTLSIDESGSLVANLNGVSDPIILQSERAKVHSFHDYELQYSALNRSTTLFVDGQAITTWTGEVSQENNIQFGNADAQIDGRLHVQNIALTQQGQNLVEFDAFYLAQQTPEVEKDLEKLGWTKIKTGNTMSLYGNASVNPGPGHGITLTRQQNISGSQNGRLIYPAIVLDRFFLNVMSIYSDDGGSNWQTGSTLPIPFRWKSSSILETLEPSEADMVELQNGDLLLTARLDFNQIVNGVNYSPRQQFLSKDGGITWSLLEANNANVFSNISTGTVDASITRFEQSDGSHFLLFTNPQGNPAGTNGRQNLGLWFSFDEGVTWKGPIQLVNGASAYSDIYQLDSENAIVIVETDNSNMRILRMPITLLKQKLTLSQN
  
Inhibitor
Name:
BDBM50428077
Synonyms:
CHEMBL2323562
Type:
Small organic molecule
Emp. Form.:
C15H18N2O5
Mol. Mass.:
306.3138
SMILES:
CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNc1ccccc1)C(O)=O |r,c:7|
Structure:
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