Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM520014
Substrate
n/a
Meas. Tech.
Test of Anti HBV Activity In Vitro
EC50
6.30±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:
BDBM520014
Synonyms:
US11142527, Example 48
Type:
Small organic molecule
Emp. Form.:
C34H31ClFN7O3S
Mol. Mass.:
672.171
SMILES:
COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4c(C)cc(cc4C)C#N)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,34|
Structure:
Search PDB for entries with ligand similarity: