Target
Hemagglutinin
Ligand
BDBM50529725
Substrate
n/a
Meas. Tech.
ChEMBL_1909739 (CHEMBL4412185)
Kd
15600±n/a nM
Citation
 Li, HLi, MXu, RWang, SZhang, YZhang, LZhou, DXiao, 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:
BDBM50529725
Synonyms:
CHEMBL4569515
Type:
Small organic molecule
Emp. Form.:
C39H58N2O4
Mol. Mass.:
618.8888
SMILES:
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NCCNC(=O)c3ccccc3O)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9|
Structure:
Search PDB for entries with ligand similarity: