Reaction Details | |||
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Target | Large envelope protein | ||
Ligand | BDBM576391 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | PHH Natural Infection Assay | ||
IC50 | 88±n/a nM | ||
Citation | Xianfeng, L; Hongying, Y; Bo, Z; Xiufang, Z AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION WIPOWO2022112207 Publication Date 6/2/2022 | ||
More Info.: | Get all data from this article, Assay Method | ||
Large envelope protein | |||
Name: | Large envelope protein | ||
Synonyms: | HBSAG_HBVD3 | S | ||
Type: | n/a | ||
Mol. Mass.: | 42772.52 | ||
Organism: | Hepatitis B virus | ||
Description: | P03138 | ||
Residue: | 389 | ||
Sequence: |
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BDBM576391 | |||
n/a | |||
Name | BDBM576391 | ||
Synonyms: | N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(cyclopropylmethylsulfinyl)furan-2-carboxamide | WO2022112207, Example 19-a | ||
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:12.34,14.18,24.27,wD:10.11,(-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 |