Target
Sialidase
Ligand
BDBM50317436
Substrate
n/a
Meas. Tech.
ChEMBL_631810 (CHEMBL1109003)
IC50
7550±n/a nM
Citation
 Nguyen, PHNguyen, TNKang, KWNdinteh, DTMbafor, JTKim, YROh, WK Prenylated pterocarpans as bacterial neuraminidase inhibitors. Bioorg Med Chem 18:3335-44 (2010) [PubMed]  Article 
Target
Name:
Sialidase
Synonyms:
NANH_VIBCH | nanH
Type:
PROTEIN
Mol. Mass.:
85590.05
Organism:
Vibrio cholerae
Description:
ChEMBL_631810
Residue:
781
Sequence:
MRFKNVKKTALMLAMFGMATSSNAALFDYNATGDTEFDSPAKQGWMQDNTNNGSGVLTNADGMPAWLVQGIGGRAQWTYSLSTNQHAQASSFGWRMTTEMKVLSGGMITNYYANGTQRVLPIISLDSSGNLVVEFEGQTGRTVLATGTAATEYHKFELVFLPGSNPSASFYFDGKLIRDNIQPTASKQNMIVWGNGSSNTDGVAAYRDIKFEIQGDVIFRGPDRIPSIVASSVTPGVVTAFAEKRVGGGDPGALSNTNDIITRTSRDGGITWDTELNLTEQINVSDEFDFSDPRPIYDPSSNTVLVSYARWPTDAAQNGDRIKPWMPNGIFYSVYDVASGNWQAPIDVTDQVKERSFQIAGWGGSELYRRNTSLNSQQDWQSNAKIRIVDGAANQIQVADGSRKYVVTLSIDESGGLVANLNGVSAPIILQSEHAKVHSFHDYELQYSALNHTTTLFVDGQQITTWAGEVSQENNIQFGNADAQIDGRLHVQKIVLTQQGHNLVEFDAFYLAQQTPEVEKDLEKLGWTKIKTGNTMSLYGNASVNPGPGHGITLTRQQNISGSQNGRLIYPAIVLDRFFLNVMSIYSDDGGSNWQTGSTLPIPFRWKSSSILETLEPSEADMVELQNGDLLLTARLDFNQIVNGVNYSPRQQFLSKDGGITWSLLEANNANVFSNISTGTVDASITRFEQSDGSHFLLFTNPQGNPAGTNGRQNLGLWFSFDEGVTWKGPIQLVNGASAYSDIYQLDSENAIVIVETDNSNMRILRMPITLLKQKLTLSQN
  
Inhibitor
Name:
BDBM50317436
Synonyms:
CHEMBL1096407 | calopocarpin
Type:
Small organic molecule
Emp. Form.:
C20H20O4
Mol. Mass.:
324.3704
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8] |r|
Structure:
Search PDB for entries with ligand similarity: