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Target
Genome polyprotein [1027-3010]
Ligand
BDBM243458
Substrate
n/a
Meas. Tech.
Replicon Assay
EC50
920±n/a nM
Citation
 Vendeville, SM; Raboisson, PJ; Lin, T; Tahri, A; Amssoms, KI Macrocyclic indole derivatives useful as hepatitis C virus inhibitors US Patent  US9427440 Publication Date 8/30/2016 
Target
Name:
Genome polyprotein [1027-3010]
Synonyms:
POLG_HCVJ4 | Serine protease NS3/ RNA-directed RNA polymerase NS5B (NS3-NS5B)
Type:
Enzyme
Mol. Mass.:
214313.50
Organism:
Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
Description:
aa 1027-3010
Residue:
1984
Sequence:
APITAYSQQTRGVLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCINGVCWTVYHGAGSKTLAGPKGPITQMYTNVDLDLVGWQAPPGARSMTPCSCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGVFRAAVCTRGVAKAVDFIPVESMETTMRSPVFTDNSSPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGGSITYSTYGKFLADGGCSGGAYDIIICDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEIGLSNNGEIPFYGKAIPIEAIKGGRHLIFCHSKKKCDELAAKLTGLGLNAVAYYRGLDVSVIPPIGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRSGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTGLTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEVILTHPITKYIMACMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGKPAVVPDREVLYQEFDEMEECASQLPYIEQGMQLAEQFKQKALGLLQTATKQAEAAAPVVESKWRALETFWAKHMWNFISGIQYLAGLSTLPGNPAIASLMAFTASITSPLTTQNTLLFNILGGWVAAQLAPPSAASAFVGAGIAGAAVGSIGLGKVLVDILAGYGAGVAGALVAFKVMSGEVPSTEDLVNLLPAILSPGALVVGVVCAAILRRHVGPGEGAVQWMNRLIAFASRGNHVSPTHYVPESDAAARVTQILSSLTITQLLKRLHQWINEDCSTPCSGSWLRDVWDWICTVLTDFKTWLQSKLLPRLPGVPFLSCQRGYKGVWRGDGIMQTTCPCGAQIAGHVKNGSMRIVGPRTCSNTWHGTFPINAYTTGPCTPSPAPNYSRALWRVAAEEYVEVTRVGDFHYVTGMTTDNVKCPCQVPAPEFFTEVDGVRLHRYAPACKPLLREDVTFQVGLNQYLVGSQLPCEPEPDVTVLTSMLTDPSHITAETAKRRLARGSPPSLASSSASQLSAPSLKATCTTHHDSPDADLIEANLLWRQEMGGNITRVESENKVVILDSFEPLHAEGDEREISVAAEILRKSRKFPSALPIWARPDYNPPLLESWKDPDYVPPVVHGCPLPPTKAPPIPPPRRKRTVVLTESNVSSALAELATKTFGSSGSSAVDSGTATALPDLASDDGDKGSDVESYSSMPPLEGEPGDPDLSDGSWSTVSEEASEDVVCCSMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYATTSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSKFGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQRVEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKATAACRAAKLQDCTMLVNGDDLVVICESAGTQEDAAALRAFTEAMTRYSAPPGDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPINSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRVASCLRKLGVPPLRTWRHRARSVRAKLLSQGGRAATCGRYLFNWAVRTKLKLTPIPAASQLDLSGWFVAGYSGGDIYHSLSRARPRWFPLCLLLLSVGVGIYLLPNR
  
Inhibitor
Name:
BDBM243458
Synonyms:
US9427440, 5
Type:
Small organic molecule
Emp. Form.:
C32H37N5O5S
Mol. Mass.:
603.732
SMILES:
COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)NCCN1CCN(CC1)S(=O)(=O)NC5=O |c:25,(8.09,-.48,;7,-1.57,;5.51,-1.17,;4.5,-2.33,;2.99,-2.03,;2.49,-.57,;.95,-.57,;.05,-1.82,;.44,-3.31,;-.64,-4.4,;-.25,-5.88,;1.24,-6.28,;2.33,-5.19,;1.93,-3.71,;-1.42,-1.34,;-2.75,-2.11,;-4.09,-1.34,;-4.09,.2,;-2.75,.97,;-1.42,.2,;.05,.67,;.46,2.22,;1.87,2.83,;3.23,2.1,;3.5,.59,;5.01,.29,;.78,3.92,;-.71,3.52,;1.25,4.82,;-.09,5.59,;-1.42,4.82,;-2.75,5.59,;-4.09,4.82,;-5.42,5.59,;-6.75,4.82,;-5.31,6.28,;-4.29,5.59,;-6.75,3.28,;-8.09,2.51,;-5.42,4.05,;-5.42,2.51,;-5.42,.97,;-6.75,.2,)|
Structure:
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