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Target
Neuraminidase
Ligand
BDBM50078330
Substrate
n/a
Meas. Tech.
ChEMBL_144720 (CHEMBL750941)
IC50
5000±n/a nM
Citation
 Atigadda, VR; Brouillette, WJ; Duarte, F; Ali, SM; Babu, YS; Bantia, S; Chand, P; Chu, N; Montgomery, JA; Walsh, DA; Sudbeck, EA; Finley, J; Luo, M; Air, GM; Laver, GW Potent inhibition of influenza sialidase by a benzoic acid containing a 2-pyrrolidinone substituent. J Med Chem 42:2332-43 (1999) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza A Virus Neuraminidase | NA | NRAM_I34A1 | Neuraminidase | Neuraminidase A
Type:
Enzyme
Mol. Mass.:
50124.14
Organism:
Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(H1N1))
Description:
P03468
Residue:
454
Sequence:
MNPNQKIITIGSICLVVGLISLILQIGNIISIWISHSIQTGSQNHTGICNQNIITYKNSTWVKDTTSVILTGNSSLCPIRGWAIYSKDNSIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECACVNGSCFTIMTDGPSDGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPEDGTGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSHSSRHGFEMIWDPNGWTETDSKFSVRQDVVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKTIWTSASSISFCGVNSDTVDWSWPDGAELPFSIDK
  
Inhibitor
Name:
BDBM50078330
Synonyms:
1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE | 3-(2,2-diaminoimino)-4-[2,2-di(hydroxymethyl)-5-oxotetrahydro-1H-1-pyrrolyl]benzoate | 4-(2,2-Bis-hydroxymethyl-5-oxo-pyrrolidin-1-yl)-3-guanidino-benzoic acid | CHEMBL308497
Type:
Small organic molecule
Emp. Form.:
C14H18N4O5
Mol. Mass.:
322.3165
SMILES:
[#7]\[#6](-[#7])=[#7]\c1cc(ccc1-[#7]1-[#6](=O)-[#6]-[#6]C1([#6]-[#8])[#6]-[#8])-[#6](-[#8])=O
Structure:
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