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Target
Sialidase
Ligand
BDBM50478507
Substrate
n/a
Meas. Tech.
ChEMBL_486928 (CHEMBL1012190)
IC50
488±n/a nM
Citation
 Takada, K; Nakao, Y; Matsunaga, S; van Soest, RW; Fusetani, N Nobiloside, a new neuraminidase inhibitory triterpenoidal saponin from the marine sponge Erylus nobilis. J Nat Prod 65:411-3 (2002) [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:
BDBM50478507
Synonyms:
Nobiloside
Type:
Small organic molecule
Emp. Form.:
C47H72O19
Mol. Mass.:
941.0632
SMILES:
[H][C@@]1([#6]-[#6][C@@]2([#6](-[#8])=O)[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8][C@]2([H])[#8]-[#6@@H](-[#6@@H](-[#8][C@]4([H])[#8]-[#6@@H](-[#6@H](-[#8])-[#6@H](-[#8][C@]5([H])[#8]-[#6]-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]5-[#8])-[#6@H]4-[#8])-[#6](-[#8])=O)-[#6@H](-[#8])-[#6@H]2-[#8])-[#6](-[#8])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,c:8|
Structure:
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