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Target
Neuraminidase
Ligand
BDBM4706
Substrate
n/a
Meas. Tech.
ChEMBL_941624 (CHEMBL2330706)
IC50
170000±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:
BDBM4706
Synonyms:
(2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | 2,3-didehydro-2-deoxy-N-acetylneuraminic acid | CHEMBL96712 | DANA | Neu5Ac2en
Type:
Small organic molecule
Emp. Form.:
C11H17NO8
Mol. Mass.:
291.2546
SMILES:
CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Structure:
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