Reaction Details Report a problem with these data
Target
Hemagglutinin
Ligand
BDBM50596583
Substrate
n/a
Meas. Tech.
ChEMBL_2220831 (CHEMBL5134165)
Kd
0.007±n/a nM
Citation
 Xie, X; He, J Multivalent peptide dendrimers inhibit the fusion of viral-cellular membranes and the cellular NF-?B signaling pathway. Eur J Med Chem 230:0 (2022) [PubMed] 
Target
Name:
Hemagglutinin
Synonyms:
HA | Hemagglutinin | Hemagglutinin HA1 chain | Hemagglutinin HA2 chain
Type:
PROTEIN
Mol. Mass.:
63455.07
Organism:
Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))
Description:
ChEMBL_109717
Residue:
565
Sequence:
MKAKLLVLLYAFVATDADTICIGYHANNSTDTVDTIFEKNVAVTHSVNLLEDRHNGKLCKLKGIAPLQLGKCNIIGWLLGNPECDSLLPARSWSYIVETPNSENGACYPGDFIDYEELREQLSSVSSLERFEIFPKESSWPNHTFNGVTASCSHRGKSSFYRNLLWLTKKGDSYPKLTNSYVNNKGKEVLVLWGVHHPSSSDEQQSLYSNGNAYVSVASSNYNRRFTPEIAARPKVKDQHGRMNYYWTLLEPGDTIIFEATGNLIAPWYAFALSRGFESGIITSNASMHECNTKCQTPQGSINSNLPFQNIHPVTIGECPKYVRSTKLRMVTGLRNIPSIQYRGLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNSIIEKMNTQFTAVGKEFNNLEKRMENLNKKVDDGFLDIWTYNAELLVLLENGRTLDFHDLNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCDNECMESVRNGTYDYPKYSEESKLNREKIDGVKLESMGVYQILAIYSTVASSLVLLVSLGAISFWMCSNGSLQCRICI
  
Inhibitor
Name:
BDBM50596583
Synonyms:
CHEMBL5183382
Type:
Small organic molecule
Emp. Form.:
C184H257N39O25
Mol. Mass.:
3415.2557
SMILES:
NCCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC(O)=O |r|
Structure:
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