Reaction Details Report a problem with these data
Target
Hemagglutinin
Ligand
BDBM236493
Substrate
n/a
Meas. Tech.
Cellular Assay-Influenza Virus Replication PR8 and X31 in Calu-3 Human Bronchial Epithelial Cells
EC50
5689±n/a nM
Citation
 Boudreault, P; Colombo, null; Leduc, R; Marsault, E; Plancq, B; Richter, M Matriptase inhibitors and uses thereof US Patent  US10988505 Publication Date 4/27/2021 
Target
Name:
Hemagglutinin
Synonyms:
HA | HEMA_I000X | Influenza A virus Hemagglutinin
Type:
PROTEIN
Mol. Mass.:
63574.85
Organism:
Influenza A virus (strain A/X-31 H3N2)
Description:
ChEMBL_884910
Residue:
566
Sequence:
MKTIIALSYIFCLALGQDLPGNDNSTATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQKETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSIACKRGPDSGFFSRLNWLTKSESTYPVLNVTMPNNDNFDKLYIWGIHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRGLSSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVPEKQTRGLFGAIAGFIENGWEGMIDGWYGFRHQNSEGTGQAADLKSTQAAIDQINGKLNRVIEKTNEKFHQIEKEFSEVEGRIQDLEKYVEDTKIDLWSYNAELLVALENQHTIDLTDSEMNKLFEKTRRQLRENAEDMGNGCFKIYHKCDNACIESIRNGTYDHDVYRDEALNNRFQIKGVELKSGYKDWILWISFAISCFLLCVVLLGFIMWTCQRGNIRCNICI
  
Inhibitor
Name:
BDBM236493
Synonyms:
US10988505, Comparative #2 | US9365853, 4
Type:
Small organic molecule
Emp. Form.:
C21H30N8O4S
Mol. Mass.:
490.579
SMILES:
C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Structure:
Search PDB for entries with ligand similarity: