Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50182249
Substrate
n/a
Meas. Tech.
ChEMBL_1585713 (CHEMBL3821010)
IC50
0.350000±n/a nM
Citation
 Sriwilaijaroen, N; Magesh, S; Imamura, A; Ando, H; Ishida, H; Sakai, M; Ishitsubo, E; Hori, T; Moriya, S; Ishikawa, T; Kuwata, K; Odagiri, T; Tashiro, M; Hiramatsu, H; Tsukamoto, K; Miyagi, T; Tokiwa, H; Kiso, M; Suzuki, Y A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1-N9 Neuraminidases: Insight into Neuraminidase-Inhibitor Interactions. J Med Chem 59:4563-77 (2016) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I33A0
Type:
PROTEIN
Mol. Mass.:
49687.56
Organism:
Influenza A virus
Description:
ChEMBL_1347422
Residue:
453
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGNQNHTGICNQGIITYNVVAGQDSTSVILTGNSSLCPIRGWAIHSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSASACHDGMGWLTIGISGPDNGAVAVLKYNGIITETIKSWRKKILRTQESECTCVNGSCFTIMTDGPSNGLASYKIFKIEKGKVTKSIELNAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGPGSCGPVSADGANGVKGFSYRYGNGVWIGRTKSDSSRHGFEMIWDPNGWTETDSRFSVRQDVVAMTDRSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPEEETIWTSGSIISFCGVNSDTVDWSWPDGAELPFTIDK
  
Inhibitor
Name:
BDBM50182249
Synonyms:
CHEMBL3818159
Type:
Small organic molecule
Emp. Form.:
C15H29N2O8P
Mol. Mass.:
396.3731
SMILES:
OP(O)(O)=O.CCC(CC)OC[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Structure:
Search PDB for entries with ligand similarity: