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Target
Genome polyprotein [1027-3010]
Ligand
BDBM243467
Substrate
n/a
Meas. Tech.
Replicon Assay
EC50
180±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:
BDBM243467
Synonyms:
US9427440, 15
Type:
Small organic molecule
Emp. Form.:
C33H39N5O5S
Mol. Mass.:
617.758
SMILES:
COc1ccc2-c3c(C4CCCCC4)c4ccc5cc4n3CC(=Cc2c1)C(=O)N1CCN(CC1)CCN(C)S(=O)(=O)NC5=O |c:25,(9.03,-.65,;7.94,-1.74,;6.45,-1.34,;5.44,-2.5,;3.93,-2.2,;3.43,-.75,;1.89,-.75,;.99,-1.99,;1.39,-3.48,;.3,-4.57,;.69,-6.06,;2.18,-6.46,;3.27,-5.37,;2.87,-3.88,;-.48,-1.52,;-1.81,-2.29,;-3.15,-1.52,;-3.15,.02,;-1.81,.79,;-.48,.02,;.99,.5,;1.4,2.05,;2.81,2.66,;4.17,1.93,;4.44,.41,;5.95,.12,;2.81,4.2,;4.15,4.97,;.3,5.37,;-.1,3.88,;-1.59,3.48,;-2.68,4.57,;-2.28,6.06,;-.79,6.46,;-4.16,4.17,;-5.25,5.26,;-6.74,4.86,;-7.83,5.95,;-7.54,2.13,;-7.94,.64,;-9.03,2.53,;-5.25,2.13,;-4.48,.79,;-5.81,.02,)|
Structure:
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