Reaction Details Report a problem with these data
Target
Sialidase
Ligand
BDBM50355212
Substrate
n/a
Meas. Tech.
ChEMBL_772883 (CHEMBL1838286)
Ki
160±n/a nM
Citation
 Woo, HS; Kim, DW; Curtis-Long, MJ; Lee, BW; Lee, JH; Kim, JY; Kang, JE; Park, KH Potent inhibition of bacterial neuraminidase activity by pterocarpans isolated from the roots of Lespedeza bicolor. Bioorg Med Chem Lett 21:6100-3 (2011) [PubMed]  Article 
Target
Name:
Sialidase
Synonyms:
NANH_CLOPF | nanH
Type:
PROTEIN
Mol. Mass.:
42808.79
Organism:
Clostridium perfringens
Description:
ChEMBL_991336
Residue:
382
Sequence:
MCNKNNTFEKNLDISHKPEPLILFNKDNNIWNSKYFRIPNIQLLNDGTILTFSDIRYNGPDDHAYIDIASARSTDFGKTWSYNIAMKNNRIDSTYSRVMDSTTVITNTGRIILIAGSWNTNGNWAMTTSTRRSDWSVQMIYSDDNGLTWSNKIDLTKDSSKVKNQPSNTIGWLGGVGSGIVMDDGTIVMPAQISLRENNENNYYSLIIYSKDNGETWTMGNKVPNSNTSENMVIELDGALIMSTRYDYSGYRAAYISHDLGTTWEIYEPLNGKILTGKGSGCQGSFIKATTSNGHRIGLISAPKNTKGEYIRDNIAVYMIDFDDLSKGVQEICIPYPEDGNKLGGGYSCLSFKNNHLGIVYEANGNIEYQDLTPYYSLINKQ
  
Inhibitor
Name:
BDBM50355212
Synonyms:
CHEMBL1835717
Type:
Small organic molecule
Emp. Form.:
C26H30O5
Mol. Mass.:
422.5134
SMILES:
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6]-[#6@@H]-3-[#6@@H](-[#8]-c4cc(-[#8])ccc-34)-c12 |r|
Structure:
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