Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM519991
Substrate
n/a
Meas. Tech.
Test of Anti HBV Activity In Vitro
EC50
5.00±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:
BDBM519991
Synonyms:
1-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(methoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl)phenyl) piperidine-4-carboxylic acid | US11142527, Example 21
Type:
Small organic molecule
Emp. Form.:
C34H35ClFN7O5S
Mol. Mass.:
708.202
SMILES:
COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)N3CCC(CC3)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,37|
Structure:
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