Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50495276
Substrate
n/a
Meas. Tech.
ChEMBL_1284877 (CHEMBL3108178)
IC50
570±n/a nM
Citation
More Info.:
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I33A0
Type:
PROTEIN
Mol. Mass.:
49687.56
Organism:
Influenza A virus
Description:
ChEMBL_1347422
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
Inhibitor
Name:
BDBM50495276
Synonyms:
CHEMBL3104604
Type:
Small organic molecule
Emp. Form.:
C36H65N7O20S2
Mol. Mass.:
980.066
SMILES:
[H][C@]1(OC(C[C@H](NC(N)=N)[C@H]1NC(C)=O)(SCCOCCOCCOCCOCCOCCSC1(C[C@H](NC(N)=O)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|