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Target
Hemagglutinin/Neuraminidase
Ligand
BDBM493573
Substrate
n/a
Meas. Tech.
Cytopathic Effect Assay (CPE Assay)
EC50
0.011±n/a nM
Citation
 Tang, C; Ren, Q; Yin, J; Yi, K; Lei, Y; Wang, Y; Zhang, Y Inhibitors of influenza virus replication and uses thereof US Patent  US10987354 Publication Date 4/27/2021 
Target
Name:
Hemagglutinin/Neuraminidase
Synonyms:
H1N1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Neuraminidase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
51699.94
Organism:
n/a
Description:
Q20N24
Residue:
469
Sequence:
MNPNQKIITIGSICMVVGIISLILQIGNIISIWISHSIQTGSQNHTGICNQSIITYKNSTWVNQTYVNISNTNVVAGKGTTSVILAGNSSLCPIRGWAIYSKDNGIRIGSKGDVFVIREPFISCSHLECRTFFLTQGALLNDKHSNGTVKDRSPYRALMSCPVGEAPSPYNSRFESVAWSACACHDGMGWLTIGISGPDDEAVAVLKYNGIITETIKSWRKKILRTQESECVCVNGSCFTIMTDGPSDGPASYKIFKIEKGKVTKSIELDAPNSHYEECSCYPDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPKDGKGSCGPVYVDGANGVKGFSYRYGNGVWIGRTKSDSSRQGFEMIWDPNGWTETDSNFFVKQDIVAMTDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRPKEKTIWTSGSSISFCGVNSDTVDWSWPDGAELPFTIDK
 
Component 2
Name:
Hemagglutinin
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
63515.65
Organism:
n/a
Description:
Q20N27
Residue:
566
Sequence:
MKARLLVLLCALAATDADTICIGYHANNSTDTVDTILEKNVTVTHSVNLLEDSHNGKLCRLKGIAPLQLGKCNIAGWILGNPECESLLSERSWSYIVEIPNSENGTCYPGDFTDYEELREQLSSVSSFERFEIFPKESSWPKHNTARGVTAACSHAGKSSFYRNLLWLTEKDGSYPNLKNSYVNKKGKEVLVLWGVHHPSSIKEQQTLYQKENAYVSVVSSNYNRRFTPEIAERPKVRDQAGRMNYYWTLLEPGDTIIFEANGNLIAPWYAFALSRGFGSGIITSNASMHECDTKCQTPQGAINSSLPFQNIHPVTIGECPKYVRSTKLRMVTGLRNIPSIQSRGLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNSVIEKMNTQFTAVGKEFNNLEKRMENLNKKVDDGFLDIWTYNAELLILLENERTLDFHDSNVKNLYEKVKSQLRNNAKEIGNGCFEFYHKCNNECMESVKNGTYDYPKYSEESKLNREKIDGVKLESMGVYQILAIYSTVASSLVLLVSLGAISFWMCSNGSLQCRICI
 
Inhibitor
Name:
BDBM493573
Synonyms:
US10987354, Example 62
Type:
Small organic molecule
Emp. Form.:
C23H19ClF2N6O2S
Mol. Mass.:
516.951
SMILES:
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2ccc(F)s2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.12,wD:3.2,(4.41,-2.92,;5.49,-1.82,;6.98,-2.2,;5.07,-.34,;6.05,1.04,;5.65,2.53,;4.17,2.93,;3.08,1.84,;4.57,2.19,;4.57,.65,;3.48,.35,;2.39,-.73,;.9,-.34,;.5,1.15,;-.99,1.55,;-2.07,.46,;-1.68,-1.03,;-2.77,-2.12,;-4.29,-1.87,;-4.99,-3.25,;-3.9,-4.34,;-4.3,-5.82,;-2.52,-3.64,;-.19,-1.43,;.21,-2.91,;-1.38,3.04,;-.48,4.28,;-1.38,5.53,;-2.85,5.05,;-4.18,5.82,;-5.52,5.05,;-5.52,3.51,;-6.85,2.74,;-4.18,2.74,;-2.85,3.51,)|
Structure:
Search PDB for entries with ligand similarity: