Reaction Details  Report a problem with these data
Target
Neuraminidase
Ligand
BDBM50500018
Substrate
n/a
Meas. Tech.
ChEMBL_1541516 (CHEMBL3744079)
IC50
19900±n/a nM
Citation
 Boechat, Fda C; Sacramento, CQ; Cunha, AC; Sagrillo, FS; Nogueira, CM; Fintelman-Rodrigues, N; Santos-Filho, O; Riscado, CS; Forezi, Lda S; Faro, LV; Brozeguini, L; Marques, IP; Ferreira, VF; Souza, TM; de Souza, MC 1,2,3-Triazolyl-4-oxoquinolines: A feasible beginning for promising chemical structures to inhibit oseltamivir-resistant influenza A and B viruses. Bioorg Med Chem 23:7777-84 (2015) [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:
BDBM50500018
Synonyms:
CHEMBL3740548
Type:
Small organic molecule
Emp. Form.:
C22H24N4O3
Mol. Mass.:
392.451
SMILES:
CCOC(=O)c1cn(CC)c2ccc(cc2c1=O)-n1cc(nn1)C1=CCCCC1 |t:26|
Structure:
Search PDB for entries with ligand similarity: