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Target
Neuraminidase
Ligand
BDBM50200395
Substrate
n/a
Meas. Tech.
ChEMBL_801843 (CHEMBL1947455)
IC50
40500±n/a nM
Citation
 Kim, JY; Jeong, HJ; Park, JY; Kim, YM; Park, SJ; Cho, JK; Park, KH; Ryu, YB; Lee, WS Selective and slow-binding inhibition of shikonin derivatives isolated from Lithospermum erythrorhizon on glycosyl hydrolase 33 and 34 sialidases. Bioorg Med Chem 20:1740-8 (2012) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I18A0
Type:
PROTEIN
Mol. Mass.:
51401.00
Organism:
Influenza A virus (strain A/Brevig Mission/1/1918 H1N1) (Influenza Avirus (strain A/South Carolina/1/1918 H1N1))
Description:
ChEMBL_794312
Residue:
469
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWVSHSIQTGNQNHPETCNQSIITYENNTWVNQTYVNISNTNVVAGQDATSVILTGNSSLCPISGWAIYSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRTLMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTIMTDGPSNGQASYKILKIEKGKVTKSIELNAPNYHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPNDGTGSCGPVSSNGANGIKGFSFRYDNGVWIGRTKSTSSRSGFEMIWDPNGWTETDSSFSVRQDIVAITDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGQPKENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFSIDK
  
Inhibitor
Name:
BDBM50200395
Synonyms:
(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl 3-hydroxy-3-methylbutanoate | 3'-Hydroxyisovalerylshikonin | CHEMBL397309
Type:
Small organic molecule
Emp. Form.:
C21H24O7
Mol. Mass.:
388.4111
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]C([#6])([#6])[#8])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Structure:
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