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Target
Sialidase
Ligand
BDBM50466472
Substrate
n/a
Meas. Tech.
ChEMBL_1793223 (CHEMBL4265142)
IC50
10900±n/a nM
Citation
 Slack, TJ; Li, W; Shi, D; McArthur, JB; Zhao, G; Li, Y; Xiao, A; Khedri, Z; Yu, H; Liu, Y; Chen, X Triazole-linked transition state analogs as selective inhibitors against V. cholerae sialidase. Bioorg Med Chem 26:5751-5757 (2018) [PubMed]  Article 
Target
Name:
Sialidase
Synonyms:
NANH_VIBCH | nanH
Type:
PROTEIN
Mol. Mass.:
85590.05
Organism:
Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
Description:
ChEMBL_631810
Residue:
781
Sequence:
MRFKNVKKTALMLAMFGMATSSNAALFDYNATGDTEFDSPAKQGWMQDNTNNGSGVLTNADGMPAWLVQGIGGRAQWTYSLSTNQHAQASSFGWRMTTEMKVLSGGMITNYYANGTQRVLPIISLDSSGNLVVEFEGQTGRTVLATGTAATEYHKFELVFLPGSNPSASFYFDGKLIRDNIQPTASKQNMIVWGNGSSNTDGVAAYRDIKFEIQGDVIFRGPDRIPSIVASSVTPGVVTAFAEKRVGGGDPGALSNTNDIITRTSRDGGITWDTELNLTEQINVSDEFDFSDPRPIYDPSSNTVLVSYARWPTDAAQNGDRIKPWMPNGIFYSVYDVASGNWQAPIDVTDQVKERSFQIAGWGGSELYRRNTSLNSQQDWQSNAKIRIVDGAANQIQVADGSRKYVVTLSIDESGGLVANLNGVSAPIILQSEHAKVHSFHDYELQYSALNHTTTLFVDGQQITTWAGEVSQENNIQFGNADAQIDGRLHVQKIVLTQQGHNLVEFDAFYLAQQTPEVEKDLEKLGWTKIKTGNTMSLYGNASVNPGPGHGITLTRQQNISGSQNGRLIYPAIVLDRFFLNVMSIYSDDGGSNWQTGSTLPIPFRWKSSSILETLEPSEADMVELQNGDLLLTARLDFNQIVNGVNYSPRQQFLSKDGGITWSLLEANNANVFSNISTGTVDASITRFEQSDGSHFLLFTNPQGNPAGTNGRQNLGLWFSFDEGVTWKGPIQLVNGASAYSDIYQLDSENAIVIVETDNSNMRILRMPITLLKQKLTLSQN
  
Inhibitor
Name:
BDBM50466472
Synonyms:
CHEMBL4289476
Type:
Small organic molecule
Emp. Form.:
C21H31N7O11
Mol. Mass.:
557.52
SMILES:
[H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O)nn1 |r,c:3|
Structure:
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