Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM518263
Substrate
n/a
Meas. Tech.
HBV DNA Assay
IC50
292±0 nM
Citation
 Cheng, Z; Wang, J; Wang, M; Yang, S Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection US Patent  US11124495 Publication Date 9/21/2021 
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:
BDBM518263
Synonyms:
5-Fluoro-7-methoxy-2-(5-pyrimidin-2-ylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline | US11124495, Example 8
Type:
Small organic molecule
Emp. Form.:
C18H16FN5O
Mol. Mass.:
337.3509
SMILES:
COc1cc(F)c2CCN(Cc2c1)c1cnc(cn1)-c1ncccn1
Structure:
Search PDB for entries with ligand similarity: