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Target
Hemagglutinin
Ligand
BDBM50280403
Substrate
n/a
Meas. Tech.
ChEMBL_1722000 (CHEMBL4137000)
IC50
1230±n/a nM
Citation
 Zhao, X; Li, R; Zhou, Y; Xiao, M; Ma, C; Yang, Z; Zeng, S; Du, Q; Yang, C; Jiang, H; Hu, Y; Wang, K; Mok, CKP; Sun, P; Dong, J; Cui, W; Wang, J; Tu, Y; Yang, Z; Hu, W Discovery of Highly Potent Pinanamine-Based Inhibitors against Amantadine- and Oseltamivir-Resistant Influenza A Viruses. J Med Chem 61:5187-5198 (2018) [PubMed]  Article 
Target
Name:
Hemagglutinin
Synonyms:
HA | HEMA_I68A0 | Hemagglutinin HA1 chain | Hemagglutinin HA2 chain
Type:
PROTEIN
Mol. Mass.:
63416.64
Organism:
Influenza A virus (strain A/Aichi/2/1968 H3N2)
Description:
ChEMBL_795513
Residue:
566
Sequence:
MKTIIALSYIFCLALGQDLPGNDNSTATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGIHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRGLSSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVPEKQTRGLFGAIAGFIENGWEGMIDGWYGFRHQNSEGTGQAADLKSTQAAIDQINGKLNRVIEKTNEKFHQIEKEFSEVEGRIQDLEKYVEDTKIDLWSYNAELLVALENQHTIDLTDSEMNKLFEKTRRQLRENAEEMGNGCFKIYHKCDNACIESIRNGTYDHDVYRDEALNNRFQIKGVELKSGYKDWILWISFAISCFLLCVVLLGFIMWACQRGNIRCNICI
  
Inhibitor
Name:
BDBM50280403
Synonyms:
CHEMBL4163615
Type:
Small organic molecule
Emp. Form.:
C18H27NS
Mol. Mass.:
289.479
SMILES:
[H][C@@]12C[C@@]([H])([C@@H](C)[C@@H](C1)NCc1sccc1C1CC1)C2(C)C |r|
Structure:
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