Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM520047
Substrate
n/a
Meas. Tech.
Test of Anti HBV Activity In Vitro
EC50
6.80±n/a nM
Citation
 Ren, Q; Liu, X; Huang, J; Zhang, Y; Goldmann, S Dihydropyrimidine compounds and uses thereof in medicine US Patent  US11142527 Publication Date 10/12/2021 
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:
BDBM520047
Synonyms:
(4R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((8aS)-2-(2-(1-methylpyrrolidin-2-yl)-1H-benzo[d]imidazol-5-yl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate | US11142527, Example 108
Type:
Small organic molecule
Emp. Form.:
C34H35ClFN9O3S
Mol. Mass.:
704.217
SMILES:
COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc4[nH]c(nc4c3)C3CCCN3C)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38|
Structure:
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