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Target
Hemagglutinin
Ligand
BDBM611014
Substrate
n/a
Meas. Tech.
Biological Activity
IC50
130±n/a nM
Citation
 Jonckers, TH; McGowan, DC; Guilllemont, J; Cooymans, LP; Embrechts, WC; Buyck, CF; Balemans, WM; Raboisson, PJ Heterocyclic indoles for use in influenza virus infection US Patent  US10626108 Publication Date 4/21/2020 
Target
Name:
Hemagglutinin
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
38441.02
Organism:
n/a
Description:
P12590
Residue:
344
Sequence:
MKAKLLVLLCAFTATDADTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCRLKGIAPLQLGNCSIAGWILGNPECESLFSKKSWSYIAETPNSENGTCYPGYFADYEELREQLSSVSSFERFEIFPKESSWPNHTVTKGVTAACSHKGKSSFYRNLLWLTEKNGSYPNLSKSYVNNKEKEVLVLWGVHHPSNIGDQRAIYHTENAYVSVVSSHYNRRFTPEIAKRPKVRGQEGRINYYWTLLEPEDTIIFEANGNLIAPWYAFALSRGFGSGIITSNASMDECDAKCQTPQGAINSSLPFQNVHPVTIGECPKYVRSTKLRMVTGLRNIPSIQSR
 
Inhibitor
Name:
BDBM611014
Synonyms:
US10626108, Compound 6
Type:
Small organic molecule
Emp. Form.:
C20H19F2N5O2
Mol. Mass.:
399.394
SMILES:
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cnnc(n1)-c1c[nH]c2c(F)cc(F)cc12 |r,wU:3.2,wD:10.12,(-2.18,3.23,;-1.78,4.72,;-2.87,5.81,;-.3,5.12,;.1,6.6,;1.59,7,;2.68,5.91,;2.28,4.43,;2.02,5.36,;1.26,6.23,;.79,4.03,;.39,2.54,;1.43,1.4,;2.93,1.72,;3.96,.57,;3.49,-.89,;1.98,-1.21,;.95,-.07,;1.5,-2.68,;2.41,-3.92,;1.5,-5.17,;.04,-4.69,;-1.29,-5.46,;-1.29,-7,;-2.63,-4.69,;-2.63,-3.15,;-3.96,-2.38,;-1.29,-2.38,;.04,-3.15,)|
Structure:
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