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Target
Genome polyprotein
Ligand
BDBM35571
Substrate
poly(A)/oligo(U)18
Meas. Tech.
HCV RNA-Dependent RNA Polymerase Assay (IC50)
IC50
110±n/a nM
Citation
 Ontoria, JM; Rydberg, EH; Di Marco, S; Tomei, L; Attenni, B; Malancona, S; Martin Hernando, JI; Gennari, N; Koch, U; Narjes, F; Rowley, M; Summa, V; Carroll, SS; Olsen, DB; De Francesco, R; Altamura, S; Migliaccio, G; Carfì, A Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors. J Med Chem 52:5217-27 (2009) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
HCV NS5B Polymerase | POLG_HCVJ8 | RNA-directed RNA polymerase, C-terminally truncated form delta C21
Type:
Enzyme catalytic domain
Mol. Mass.:
330236.08
Organism:
Hepatitis C virus genotype 2b (isolate HC-J8) (HCV)
Description:
P26661
Residue:
3033
Sequence:
MSTNPKPQRKTKRNTNRRPQDVKFPGGGQIVGGVYLLPRRGPRLGVRATRKTSERSQPRGRRQPIPKDRRSTGKSWGKPGYPWPLYGNEGCGWAGWLLSPRGSRPTWGPTDPRHRSRNLGRVIDTITCGFADLMGYIPVVGAPVGGVARALAHGVRVLEDGINYATGNLPGCSFSIFLLALLSCVTVPVSAVEVRNISSSYYATNDCSNNSITWQLTDAVLHLPGCVPCENDNGTLHCWIQVTPNVAVKHRGALTRSLRTHVDMIVMAATACSALYVGDVCGAVMILSQAFMVSPQRHNFTQECNCSIYQGHITGHRMAWDMMLSWSPTLTMILAYAARVPELVLEIIFGGHWGVVFGLAYFSMQGAWAKVIAILLLVAGVDATTYSSGQEAGRTVAGFAGLFTTGAKQNLYLINTNGSWHINRTALNCNDSLQTGFLASLFYTHKFNSSGCPERLSSCRGLDDFRIGWGTLEYETNVTNDGDMRPYCWHYPPRPCGIVPARTVCGPVYCFTPSPVVVGTTDKQGVPTYTWGENETDVFLLNSTRPPRGAWFGCTWMNGTGFTKTCGAPPCRIRKDYNSTIDLLCPTDCFRKHPDATYLKCGAGPWLTPRCLVDYPYRLWHYPCTVNFTIFKARMYVGGVEHRFSAACNFTRGDRCRLEDRDRGQQSPLLHSTTEWAVLPCSFSDLPALSTGLLHLHQNIVDVQYLYGLSPALTRYIVKWEWVILLFLLLADARICACLWMLIILGQAEAALEKLIILHSASAASANGPLWFFIFFTAAWYLKGRVVPVATYSVLGLWSFLLLVLALPQQAYALDAAEQGELGLAILVIISIFTLTPAYKILLSRSVWWLSYMLVLAEAQIQQWVPPLEVRGGRDGIIWVAVILHPRLVFEVTKWLLAILGPAYLLKASLLRIPYFVRAHALLRVCTLVKHLAGARYIQMLLITIGRWTGTYIYDHLSPLSTWAAQGLRDLAIAVEPVVFSPMEKKVIVWGAETVACGDILHGLPVSARLGREVLLGPADGYTSKGWKLLAPITAYTQQTRGLLGAIVVSLTGRDKNEQAGQVQVLSSVTQTFLGTSISGVLWTVYHGAGNKTLAGPKGPVTQMYTSAEGDLVGWPSPPGTKSLDPCTCGAVDLYLVTRNADVIPVRRKDDRRGALLSPRPLSTLKGSSGGPVLCSRGHAVGLFRAAVCARGVAKSIDFIPVESLDVATRTPSFSDNSTPPAVPQSYQVGYLHAPTGSGKSTKVPAAYASQGYKVLVLNPSVAATLGFGAYMSKAHGINPNIRTGVRTVTTGDSITYSTYGKFIADGGCAAGAYDIIICDECHSVDATTILGIGTVLDQAETAGVRLVVLATATPPGTVTTPHSNIEEVALGHEGEIPFYGKAIPLAFIKGGRHLIFCHSKKKCDELAAALRGMGVNAVAYYRGLDVSVIPTQGDVVVVATDALMTGYTGDFDSVIDCNVAVSQIVDFSLDPTFTITTQTVPQDAVSRSQRRGRTGRGRLGVYRYVSSGERPSGMFDSVVLCECYDAGAAWYELTPAETTVRLRAYFNTPGLPVCQDHLEFWEAVFTGLTHIDAHFLSQTKQGGENFAYLTAYQATVCARAKAPPPSWDVMWKCLTRLKPTLTGPTPLLYRLGAVTNEVTLTHPVTKYIATCMQADLEIMTSSWVLAGGVLAAVAAYCLATGCISIIGRLHLNDRVVVAPDKEILYEAFDEMEECASKAALIEEGQRMAEMLKSKIQGLLQQATRQAQDIQPAIQSSWPKLEQFWAKHMWNFISGIQYLAGLSTLPGNPAVASMMAFSAALTSPLPTSTTILLNIMGGWLASQIAPPAGATGFVVSGLVGAAVGSIGLGKILVDVLAGYGAGISGALVAFKIMSGEKPTVEDVVNLLPAILSPGALVVGVICAAILRRHVGQGEGAVQWMNRLIAFASRGNHVAPTHYVVESDASQRVTQVLSSLTITSLLRRLHAWITEDCPVPCSGSWLQDIWDWVCSILTDFKNWLSSKLLPKMPGIPFISCQKGYKGVWAGTGVMTTRCPCGANISGHVRMGTMKITGPKTCLNLWQGTFPINCYTEGPCVPKPPPNYKTAIWRVAASEYVEVTQHGSFSYVTGLTSDNLKVPCQVPAPEFFSWVDGVQIHRFAPVPGPFFRDEVTFTVGLNSFVVGSQLPCDPEPDTEVLASMLTDPSHITAEAAARRLARGSPPSQASSSASQLSAPSLKATCTTHKTAYDCDMVDANLFMGGDVTRIESDSKVIVLDSLDSMTEVEDDREPSVPSEYLIKRRKFPPALPPWARPDYNPVLIETWKRPGYEPPTVLGCALPPTPQTPVPPPRRRRAKVLTQDNVEGVLREMADKVLSPLQDNNDSGHSTGADTGGDIVQQPSDETAASEAGSLSSMPPLEGEPGDPDLEFEPVGSAPPSEGECEVIDSDSKSWSTVSDQEDSVICCSMSYSWTGALITPCGPEEEKLPINPLSNSLMRFHNKVYSTTSRSASLRAKKVTFDRVQVLDAHYDSVLQDVKRAASKVSARLLTVEEACALTPPHSAKSRYGFGAKEVRSLSRRAVNHIRSVWEDLLEDQHTPIDTTIMAKNEVFCIDPTKGGKKPARLIVYPDLGVRVCEKMALYDIAQKLPKAIMGPSYGFQYSPAERVDFLLKAWGSKKDPMGFSYDTRCFDSTVTERDIRTEESIYQACSLPQEARTVIHSLTERLYVGGPMTNSKGQSCGYRRCRASGVFTTSMGNTMTCYIKALAACKAAGIVDPVMLVCGDDLVVISESQGNEEDERNLRAFTEAMTRYSAPPGDLPRPEYDLELITSCSSNVSVALDSRGRRRYFLTRDPTTPITRAAWETVRHSPVNSWLGNIIQYAPTIWVRMVIMTHFFSILLAQDTLNQNLNFEMYGAVYSVNPLDLPAIIERLHGLEAFSLHTYSPHELSRVAATLRKLGAPPLRAWKSRARAVRASLIAQGARAAICGRYLFNWAVKTKLKLTPLPEASRLDLSGWFTVGAGGGDIYHSVSHARPRLLLLCLLLLSVGVGIFLLPAR
  
Inhibitor
Name:
BDBM35571
Synonyms:
1H-benzo[de]isoquinoline-1,3(2H)-dione, 20 | cis-isomers
Type:
Small organic molecule
Emp. Form.:
C25H21BrN2O4
Mol. Mass.:
493.349
SMILES:
OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1 |r,wU:6.9,3.2,(-10.33,5.5,;-8.99,6.27,;-8.99,7.81,;-7.66,5.5,;-7.66,3.95,;-6.33,3.18,;-4.99,3.95,;-4.99,5.5,;-6.33,6.27,;-3.66,3.18,;-2.33,3.95,;-2.33,5.5,;-.99,6.27,;.34,5.5,;1.68,6.27,;1.68,7.81,;3.01,5.5,;3.01,3.95,;4.34,3.18,;1.68,3.18,;1.68,1.64,;.34,.87,;-.99,1.64,;-.99,3.18,;.34,3.95,;4.34,6.27,;4.34,7.81,;5.68,8.58,;7.01,7.81,;7.01,6.27,;8.34,5.5,;5.68,5.49,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
poly(A)/oligo(U)18
Synonyms:
n/a
Type:
homopolymeric template/primer
Mol. Mass.:
358.43
Organism:
n/a
Description:
UTP/3H-UTP as co-substrate.
Residue:
3
Sequence:
NA