Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM540707
Substrate
n/a
Meas. Tech.
Test Method of EC50 of Anti HBV
EC50
4.00±n/a nM
Citation
 Liu, X; Ren, Q; Yan, G; Goldmann, S; Zhang, Y Dihydropyrimidine compounds and uses thereof in medicine US Patent  US11261190 Publication Date 3/1/2022 
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:
BDBM540707
Synonyms:
(R)-methyl 6-(((S)-2-(4-acetylphenyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl)methyl)-4-(2-chloro-4-fluorophenyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxy late | US11261190, Example 31
Type:
Small organic molecule
Emp. Form.:
C30H28ClFN6O4S
Mol. Mass.:
623.098
SMILES:
COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C(C)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,30|
Structure:
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