Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM590018
Substrate
n/a
Meas. Tech.
Assay Measuring Activity of Test Compounds on Viral Production from HepAD38 Cells
EC50
300±n/a nM
Citation
 Haydar, SN; Li, L; Bures, MG; Rai, R; Bannen, L; Walker, M 5-membered heteroaryl carboxamide compounds for treatment of HBV US Patent  US11560370 Publication Date 1/24/2023 
Target
Name:
Large envelope protein
Synonyms:
HBSAG_HBVD3 | S
Type:
n/a
Mol. Mass.:
42772.52
Organism:
Hepatitis B virus
Description:
P03138
Residue:
389
Sequence:
MGQNLSTSNPLGFFPDHQLDPAFRANTANPDWDFNPNKDTWPDANKVGAGAFGLGFTPPHGGLLGWSPQAQGILQTLPANPPPASTNRQSGRQPTPLSPPLRNTHPQAMQWNSTTFHQTLQDPRVRGLYFPAGGSSSGTVNPVLTTASPLSSIFSRIGDPALNMENITSGFLGPLLVLQAGFFLLTRILTIPQSLDSWWTSLNFLGGTTVCLGQNSQSPTSNHSPTSCPPTCPGYRWMCLRRFIIFLFILLLCLIFLLVLLDYQGMLPVCPLIPGSSTTSTGPCRTCMTTAQGTSMYPSCCCTKPSDGNCTCIPIPSSWAFGKFLWEWASARFSWLSLLVPFVQWFVGLSPTVWLSVIWMMWYWGPSLYSILSPFLPLLPIFFCLWVYI
  
Inhibitor
Name:
BDBM590018
Synonyms:
US11560370, Compound AIA-274
Type:
Small organic molecule
Emp. Form.:
C23H27ClFN5O3
Mol. Mass.:
475.944
SMILES:
Cn1nc(C2CC3CC(O)(CC3C2)C(=O)NC2CC2)c(C(=O)Nc2ccc(F)c(Cl)c2)c1N |(-3.67,7.03,;-2.87,5.71,;-3.46,4.29,;-2.29,3.29,;-2.42,1.75,;-3.74,.95,;-3.38,-.55,;-3.98,-1.97,;-2.81,-2.97,;-1.48,-3.74,;-1.49,-2.17,;-1.85,-.67,;-1.25,.75,;-3.58,-4.3,;-2.81,-5.64,;-5.12,-4.21,;-5.97,-5.49,;-7.35,-6.18,;-6.07,-7.03,;-.98,4.09,;.44,3.49,;.64,1.96,;1.67,4.43,;3.09,3.83,;3.28,2.3,;4.7,1.71,;5.93,2.64,;7.35,2.05,;5.73,4.17,;6.96,5.1,;4.31,4.76,;-1.33,5.59,;-.33,6.75,)|
Structure:
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