Reaction Details Report a problem with these data
Target
Large envelope protein
Ligand
BDBM519994
Substrate
n/a
Meas. Tech.
Test of Anti HBV Activity In Vitro
EC50
1.000±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
More Info.:
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:
BDBM519994
Synonyms:
(R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((S)-2-(4-(1-cyanocyclopropyl)phenyl)-3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-yl)methyl)-2-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate | US11142527, Example 26
Type:
Small organic molecule
Emp. Form.:
C32H29ClFN7O3S
Mol. Mass.:
646.134
SMILES:
COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C3(CC3)C#N)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,33|