Target
External core antigen
Ligand
BDBM576392
Substrate
n/a
Meas. Tech.
PHH Natural Infection Assay
IC50
53±n/a nM
Citation
 Xianfeng, LHongying, YBo, ZXiufang, Z AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION WIPO 0:0 (2022) [PubMed] 
Target
Name:
External core antigen
Synonyms:
C | HBEAG_HBVGB | HBeAg | Precore protein | p25
Type:
Protein
Mol. Mass.:
24103.68
Organism:
HBVgbn
Description:
P89951
Residue:
212
Sequence:
MQLFHLCLIISCSCPTVQASKLCLGWLLGMDIDPYKEFGASVELLSFLPSDFFPSVRDLLDTASALYREALESPEHCSPNHTALRQAVLCWGELMTGCSWVGNNLEDPASRELVVNYVNTNMGLKIRQLLWFHISCLTFGRETVLEYLVSFGVWIRTPPAYRPPNAPILSTLPETTVVRRRGRSPRRRTPSPRRRRSQSPRRRRSQSPASQC
  
Inhibitor
Name:
BDBM576392
Synonyms:
N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(cyclopropylmethylsulfinyl)furan-2-carboxamide | WO2022112207, Example 19-b
Type:
Small organic molecule
Emp. Form.:
C23H23ClN2O4S
Mol. Mass.:
458.958
SMILES:
Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1 |r,wU:12.34,14.18,wD:10.11,24.27,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)|
Structure:
Search PDB for entries with ligand similarity: