Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM540719
Substrate
n/a
Meas. Tech.
Test Method of EC50 of Anti HBV
EC50
3.00±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:
BDBM540719
Synonyms:
(E)-3-(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)acrylic Acid | US11261190, Example 47
Type:
Small organic molecule
Emp. Form.:
C31H28ClFN6O5S
Mol. Mass.:
651.108
SMILES:
COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(\C=C\C(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,32|
Structure:
Search PDB for entries with ligand similarity: