Ki Summary

Reaction Details

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Target

Neuraminidase

Ligand

BDBM50428074

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_941624 (CHEMBL2330706)

IC50

540000±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 Chem56:2948-58 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Neuraminidase

Name:

Neuraminidase

Synonyms:

nanH

Type:

PROTEIN

Mol. Mass.:

88686.49

Organism:

Vibrio cholerae

Description:

ChEMBL_941624

Residue:

807

Sequence:

MSIKMTSQRRRASIHKETDSNIKGVDMRFKNVKKTALMLAMFGMATSSNAALFDYNATGD
TEFDSPAKQGWMQDNTNNGSGVLTNADGMPAWLVQGNGGRAQWTYSLSTNQHAQASSFGW
RMTTEMKVLSGGMITNYYANGTQRVLPIISLDSSGNLVVEFEGQTGRTILATGTAATEYH
KFELVFLPGSNPSASFYFDGKLIRDNIQPTASKQNMIVWGNGSSNTDGVAAYRDIKFEIQ
GDVIFRGPDRIPSIVASSVTPGVVTAFAEKRVGGGDPGALSNTNDIITRTSRDGGITWDT
ELNLTEQINVSDEFDFSDPRPIYDPSTNTVLVSYARWPTDAAQNGDRIKPWMPNGIFYSV
YDVASGNWRAPIDVTDQVKERSFQIAGWGGSELYRRNTNLNSQQDWQSNAKIRIVDGAAN
QIQVADGGRKYVFTLSIDESGSLVANLNGVSDPIILQSERAKVHSFHDYELQYSALNRST
TLFVDGQAITTWTGEVSQENNIQFGNADAQIDGRLHVQNIALTQQGQNLVEFDAFYLAQQ
TPEVEKDLEKLGWTKIKTGNTMSLYGNASVNPGPGHGITLTRQQNISGSQNGRLIYPAIV
LDRFFLNVMSIYSDDGGSNWQTGSTLPIPFRWKSSSILETLEPSEADMVELQNGDLLLTA
RLDFNQIVNGVNYSPRQQFLSKDGGITWSLLEANNANVFSNISTGTVDASITRFEQSDGS
HFLLFTNPQGNPAGTNGRQNLGLWFSFDEGVTWKGPIQLVNGASAYSDIYQLDSENAIVI
VETDNSNMRILRMPITLLKQKLTLSQN

BDBM50428074

n/a

Name

BDBM50428074

Synonyms:

CHEMBL2325808

Type

Small organic molecule

Emp. Form.

C11H16N4O7

Mol. Mass.

316.2673

SMILES

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=[N+]=[N-] |r,c:6|

Structure