Ki Summary

Reaction Details

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Target

Genome polyprotein [1027-1711]

Ligand

BDBM236569

Substrate/Competitor

n/a

Meas. Tech.

Inhibition Assay

7.5±n/a

0.5±n/a nM

Comments

extracted

Citation

Raboisson, PJ; De Kock, HA; McGowan, DC; Hu, L; Tahri, A; Vendeville, SM; Van De Vreken, W Macrocyclic inhibitors of hepatitis C virus US Patent US9365582 Publication Date 6/14/2016

More Info.:

Get all data from this article, Assay Method

Genome polyprotein [1027-1711]

Name:

Genome polyprotein [1027-1711]

Synonyms:

NS3-NS4A Protease | NS3/4A protease | POLG_HCV77

Type:

n/a

Mol. Mass.:

72913.15

Organism:

Hepatitis C virus genotype 1a (strain H77) (HCV)

Description:

amino acids 1027 to 1711

Residue:

685

Sequence:

APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAG
TRTIASPKGPVIQTYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRG
DSRGSLLSPRPISYLKGSSGGPLLCPTGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMR
SPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAKGYKVLVLNPSVAATLGFGA
YMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADAGCSGGAYDIIICDECHSTDATSI
SGIGTVLDQAETAGARLVVLATATPPGSVTVSHPNIEEVALSTTGEIPFYGKAIPLEVIK
GGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVSTDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVAPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLGFWEGVFTGLT
HIDAHFLSQTKQSGENFPYLVAYQATVCARAQAPPPSWDQMRKCLIRLKPTLHGPTPLLY
RLGAVQNEVTLTHPITKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRI
VLSGKPAIIPDREVLYQEFDEMEEC

BDBM236569

n/a

Name

BDBM236569

Synonyms:

US9365582, 11

Type

Small organic molecule

Emp. Form.

C32H39ClN4O7S

Mol. Mass.

659.193

SMILES

CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(Cl)c2n1 |r,c:21|

Structure