Ki Summary

Reaction Details

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Target

External core antigen

Ligand

BDBM576391

Substrate/Competitor

n/a

Meas. Tech.

PHH Natural Infection Assay

IC50

67±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

External core antigen

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:

MQLFHLCLIISCSCPTVQASKLCLGWLLGMDIDPYKEFGASVELLSFLPSDFFPSVRDLL
DTASALYREALESPEHCSPNHTALRQAVLCWGELMTGCSWVGNNLEDPASRELVVNYVNT
NMGLKIRQLLWFHISCLTFGRETVLEYLVSFGVWIRTPPAYRPPNAPILSTLPETTVVRR
RGRSPRRRTPSPRRRRSQSPRRRRSQSPASQC

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