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Target
Neuraminidase
Ligand
BDBM50092140
Substrate
n/a
Meas. Tech.
ChEMBL_144590 (CHEMBL882330)
IC50
100±n/a nM
Citation
 Babu, YS; Chand, P; Bantia, S; Kotian, P; Dehghani, A; El-Kattan, Y; Lin, TH; Hutchison, TL; Elliott, AJ; Parker, CD; Ananth, SL; Horn, LL; Laver, GW; Montgomery, JA BCX-1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design. J Med Chem 43:3482-6 (2000) [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:
BDBM50092140
Synonyms:
3-(1-Acetylamino-pentyl)-4-guanidino-cyclopentanecarboxylic acid | CHEMBL119140
Type:
Small organic molecule
Emp. Form.:
C14H26N4O3
Mol. Mass.:
298.3812
SMILES:
[#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](-[#6])=O)-[#6@@H]-1-[#6]-[#6](-[#6]-[#6@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Structure:
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