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Target
Hemagglutinin
Ligand
BDBM50529726
Substrate
n/a
Meas. Tech.
ChEMBL_1909739 (CHEMBL4412185)
Kd
36000±n/a nM
Citation
 Li, H; Li, M; Xu, R; Wang, S; Zhang, Y; Zhang, L; Zhou, D; Xiao, S Synthesis, structure activity relationship and in vitro anti-influenza virus activity of novel polyphenol-pentacyclic triterpene conjugates. Eur J Med Chem 163:560-568 (2019) [PubMed]  Article 
Target
Name:
Hemagglutinin
Synonyms:
HA | HEMA_I34A1
Type:
PROTEIN
Mol. Mass.:
63355.67
Organism:
Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)
Description:
ChEMBL_795514
Residue:
565
Sequence:
MKANLLVLLCALAAADADTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLKGIAPLQLGKCNIAGWLLGNPECDPLLPVRSWSYIVETPNSENGICYPGDFIDYEELREQLSSVSSFERFEIFPKESSWPNHNTNGVTAACSHEGKSSFYRNLLWLTEKEGSYPKLKNSYVNKKGKEVLVLWGIHHPPNSKEQQNLYQNENAYVSVVTSNYNRRFTPEIAERPKVRDQAGRMNYYWTLLKPGDTIIFEANGNLIAPMYAFALSRGFGSGIITSNASMHECNTKCQTPLGAINSSLPYQNIHPVTIGECPKYVRSAKLRMVTGLRNIPSIQSRGLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNTVIEKMNIQFTAVGKEFNKLEKRMENLNKKVDDGFLDIWTYNAELLVLLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCDNECMESVRNGTYDYPKYSEESKLNREKVDGVKLESMGIYQILAIYSTVASSLVLLVSLGAISFWMCSNGSLQCRICI
  
Inhibitor
Name:
BDBM50529726
Synonyms:
CHEMBL4464620
Type:
Small organic molecule
Emp. Form.:
C39H58N2O4
Mol. Mass.:
618.8888
SMILES:
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCNC(=O)c1ccccc1O |r,t:15|
Structure:
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