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Target
Hemagglutinin
Ligand
BDBM50542719
Substrate
n/a
Meas. Tech.
ChEMBL_1987822 (CHEMBL4621369)
Kd
6900±n/a nM
Citation
 Wu, G; Yu, G; Yu, Y; Yang, S; Duan, Z; Wang, W; Liu, Y; Yu, R; Li, J; Zhu, T; Gu, Q; Li, D Chemoreactive-Inspired Discovery of Influenza A Virus Dual Inhibitor to Block Hemagglutinin-Mediated Adsorption and Membrane Fusion. J Med Chem 63:6924-6940 (2020) [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:
BDBM50542719
Synonyms:
CHEMBL4639026
Type:
Small organic molecule
Emp. Form.:
C28H27NO6
Mol. Mass.:
473.5171
SMILES:
CC(=O)c1cc(C)c(O)c(Cc2[nH]c3ccccc3c2Cc2c(O)c(C)cc(C(C)=O)c2O)c1O
Structure:
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