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Target
Neuraminidase
Ligand
BDBM50428071
Substrate
n/a
Meas. Tech.
ChEMBL_941624 (CHEMBL2330706)
IC50
550000±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:
BDBM50428071
Synonyms:
CHEMBL2325811
Type:
Small organic molecule
Emp. Form.:
C16H19N5O5
Mol. Mass.:
361.3526
SMILES:
CC(=O)N[C@H]1[C@H](CNOCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:18|
Structure:
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