Ki Summary

Reaction Details

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Target

Large envelope protein

Ligand

BDBM576393

Substrate/Competitor

n/a

Meas. Tech.

PHH Natural Infection Assay

IC50

2422±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:

MGQNLSTSNPLGFFPDHQLDPAFRANTANPDWDFNPNKDTWPDANKVGAGAFGLGFTPPH
GGLLGWSPQAQGILQTLPANPPPASTNRQSGRQPTPLSPPLRNTHPQAMQWNSTTFHQTL
QDPRVRGLYFPAGGSSSGTVNPVLTTASPLSSIFSRIGDPALNMENITSGFLGPLLVLQA
GFFLLTRILTIPQSLDSWWTSLNFLGGTTVCLGQNSQSPTSNHSPTSCPPTCPGYRWMCL
RRFIIFLFILLLCLIFLLVLLDYQGMLPVCPLIPGSSTTSTGPCRTCMTTAQGTSMYPSC
CCTKPSDGNCTCIPIPSSWAFGKFLWEWASARFSWLSLLVPFVQWFVGLSPTVWLSVIWM
MWYWGPSLYSILSPFLPLLPIFFCLWVYI

BDBM576393

n/a

Name

BDBM576393

Synonyms:

N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]heptan-2-yl]-5-(cyclopropylmethylsulfinyl)furan-2-carboxamide | WO2022112207, Example 19-c

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:10.11,24.27,wD:12.13,14.18,(-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,;4.5,7.34,;5.59,6.25,;6.68,7.34,;7.77,6.25,;6.68,5.17,;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,;4.5,5.17,)|

Structure