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Target
Genome polyprotein
Ligand
BDBM29331
Substrate
DNA Substrate
Meas. Tech.
Fluorescence Resonant Energy Transfer (FRET) Helicase Assay
pH
7±n/a
Temperature
295.15±n/a K
IC50
12600±n/a nM
Citation
 Chen, CS; Chiou, CT; Chen, GS; Chen, SC; Hu, CY; Chi, WK; Chu, YD; Hwang, LH; Chen, PJ; Chen, DS; Liaw, SH; Chern, JW Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase. J Med Chem 52:2716-23 (2009) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
HCV NS3 Helicase | POLG_HCVTW
Type:
Enzyme
Mol. Mass.:
327107.14
Organism:
Hepatitis C virus genotype 1b (isolate Taiwan)
Description:
P29846
Residue:
3010
Sequence:
MSTNGKPQRKTKRNTNRRPQDVKFPGGGQIVGGVYLLPRRGPRLGVRATRKTWERSQPRGRRQPIPKARQPEGRAWAQPGYPWPLYGNEGLGWAGWLVSPRGSRPNWGPTDPRRRSRNLGKVIDTLTCGFADLMGYIPLVGAPLGGVARALAHGVRVLEDGVNYATGNLPGCSFSIFLLALLSCLTIPASAYEVHNVSGIYHVTNDCSNSSIVYEAADMIMHTPGCVPCVRENNSSRCWVALTPTLAARNNSVPTATIRRHVDLLVGAAAFCSAMYVGDLCGSVFLVSQLFTFSPRRYETVQDCNCSIYPGHVTGHRMAWDMMMNWSPTTALVVSQLLRIPQAVVDMVGGAHWGVLAGLAYYSMVGNWAKVLIVMLLFAGVDGSTIVSGGTVARTTHSLASLFTQGASQKIQLINTNGSWHINRTALNCNDSLQTGFLASLFYAHRFNASGCPERMASCRSIDKFDQGWGPITYTEADIQDQRPYCWHYAPRPCGIVPASQVCGPVYCFTPSPVVVGTTDRFGAPTYSWGENETDVLILNNTRPPQGNWFGCTWMNSTGFTKTCGGPPCNIGGGGNNTLVCPTDCFRKHPEATYTKCGSGPWLTPRCMVDYPYRLWHYPCTVNFTIFKVRMYVGGVEHRLNAACNWTRGERCDLEDRDRSELSPLLLSTTEWQILPCSFTGLPALSTGLIHLHQNVVDVQYLYGIGSAVVSFAIKWEYILLLFLLLADARVCACLWMMLLIAQAEAALENLVVFNAASVAGMHGTLSFLVFFCAAWYIKGRLVPGAAYALYGVWPLLLLLLALPPRAYAMDREMAASCGGAVFVGLVLLTLSPHYKMFLARLIWWLQYFITRAEAHLQVWIPPLNVRGGRDAIILLTCAAYPELIFDITKILLAILGPLMVLQAGLTRIPYFVRAQGLIRACMLVRKAAGGHYVQMALMKLAALTGTYVYDHLTPLQDWAHTGLRDLAVAVEPVVFSDMETKIITWGADTAACGDIILGLPVSARRGREILLGPADSLEGRGWRLLAPITAYAQQTRGLFGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCINGVCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWHAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFVPVESMETTMRSPVFTDNSSPPAVPQAFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGVDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIIMCDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEIALSNTGEIPFYGKAIPIETIKGGRHLIFCHSKKKCDELAAKLSALGIHAVAYYRGLDVSVIPASGNVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTMPQDAVSRSQRRGRTSRGRRGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTGLTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLTRLKPTLHGPTPLLYRLGAVQNEVTLTHPITKYIMACMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGKPAVVPDREVLYQEFDEMEECASHLPYIEQGMQLAEQFKQKALGLLQTATKQAEAAAPVVESKWRTLEAFWANDMWNFISGIQYLAGLSTLPGNPAIASLMAFTASITSPLTTQSTLLFNILGGWVAAQLAPPGAASAFVGAGIAGAAVGSIGLGKVLVDMVAGYGAGVAGALVAFKVMSGEMPSTEDLVNLLPAILSPGALVVGVVCAAILRRHVDPGEGAVQWMNRLIAFASRGNHVSPTHYVPESDAAARVTQILSGLTITQLLRRLHQWINEDCSTPCSGSWLRDVWDWICTVLADFKTWLQSKLLPRLPGVPFFSCQRGYKGVWRGDGIMQTTCPCGAQLTGHVKNGSMRIWGPKTCSNTWHGTFPINAYTTGPCTPSPAPNYSRALWRVAAEEYVEVRRVGDFHYVTGMTTDNVKCPCQVPAPEFFTEVDGVRLHRYAPACKPLLREEVSFQVGLNQYVVGSQLPCEPEPDVAVLTSMLTDPSHITAETAKRRLARGSPPSLASSSASQLSALSLKAACTTRHTPPDADLIEANLLWRQEMGGNITRVESENKVVILDSFDPLRAEEDEREVSVPAEILRKSRKFPPALPVWARPDYNPPLLEPWKDPDYVPPVVHGCPLPPVKAPPIPPPRRKRTVVLTESTVSSALAELATKTFGSSESSAAGSGTATAPPDQPSDDGDAGSDVESCSSMPPLEGEPGDPDLSDGSWSTVSEEDGEGVICCSMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSASQRQKKVTIDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSARSKFGYGAKDVRNLSGKAINHIRSVWKDLLEDTETPIDTTIMAKNEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPGQRVEFLVNAWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVCGDDLVVICESAGTQEDAASLRVFTEAMTRYSAPPGDLPQPEYDQELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWATARHTPVNSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIERLHGLSAFSLHSYSPGEINRVASCLRKLGVPPLRAWRHRARSVRAKLLSQGGRAATCGRYLFNWAVKTKLKLTPIPAASQLDLSKWFVAGYGGGDIYHSLSRARPRWFMLCLLLLSVGVGIYLLPNR
  
Inhibitor
Name:
BDBM29331
Synonyms:
triphenylmethane derivative, 3
Type:
Small organic molecule
Emp. Form.:
C32H28N3O4S
Mol. Mass.:
550.648
SMILES:
Cc1cc(ccc1N)C(O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
DNA Substrate
Synonyms:
n/a
Type:
Duplex DNA with a single-stranded DNA overhang
Mol. Mass.:
2430.76
Organism:
n/a
Description:
The substrate was prepared by annealing a 30mer oligonucleotide (template strand) to a 15mer (release strand). The resulting 15 bp duplex contained a single-stranded DNA overhang of 15 nt. A quencher BHQ1 was labeled at the 3 end of the release strand, and a fluorescein isothiocyanate (FITC) was labeled at the 5 end of the template strand.
Residue:
30
Sequence:
CATCATGCAGGACAGTCGGATCGCAGTCAG