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Target
Genome polyprotein
Ligand
BDBM486225
Substrate
n/a
Meas. Tech.
RNA-Dependent RNA HCV NS5B (polymerase) Assay and IC50 Determination
IC50
550±n/a nM
Citation
 Jacobson, IC; Feese, MD; Lee, SS Inhibitors of Hepatitis C virus polymerase US Patent  US10947210 Publication Date 3/16/2021 
Target
Name:
Genome polyprotein
Synonyms:
HCV 3a | NS5B | POLG_HCVK3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
328455.91
Organism:
Hepatitis C virus genotype 3a (isolate k3a) (HCV)
Description:
Q81495
Residue:
3021
Sequence:
MSTLPKPQRKTKRNTIRRPQDVKFPGGGVIYVGVYVLPRRGPRLGVRATRKTSERSQPRGRRKPIPKARRSEGRSWAQPGYPWPLYGNEGCGWAGWLLSPRGSRPNWAPNDPRRRSRNLGKVIDTLTCGFADLMGYIPLVGAPLGGAARALAHGVRALEDGINFATGNLPGCSFSIFLLALFSCLIHPAASLEWRNTSGLYVLTNDCSNSSIVYEADDVILHTPGCIPCVQDGNTSTCWTPVTPTVAVRYVGATTASIRSHVDLLVGAGTMCSALYVGDMCGPVFLVGQAFTFRPRRHRTVQTCNCSLYPGHLSGQRMAWDMMMNWSPAVGMVVAHILRLPQTLFDVVAGAHWGIIAGLAYYSMQGNWAKVAIIMVMFSGVDASTHVTAGQAARNAYGITSLFSVGAKQNLQLINTNGSWHINRTALNCNESINTGFIAGLFYYHKFNSTGCPQRLSSCKPITFFKQGWGPLTDANITGPSDDKPYCWHYAPRPCGIVPALNVCGPVYCFTPSPVVVGTTDAKGAPTYTWGANKTDVFLLESLRPPSGRWFGCTWMNSTGFVKTCGAPPCNIYGDGRDAQNESDLFCPTDCFRKHPEATYSRCGAGPWLTPRCLVDYPYRLWHYPCTVNFTLFKVRMFVGGFEHRFTAACNWTRGERCDIEDRDRSEQHPLLHSTTELAILPCSFTPMPALSTGLIHLHQNIVDVQYLYGIGSGMVGWALKWEFVILIFLLLADARVCVALWLILTISQAEAALENLVTLNAVAAAGTHGIGWYLVAFCAAWYVRGKLVPLVTYSLTGLWSLALLVLLLPQRAYAWSGEDSATLGAGILVLFGFFTLSPWYKHWIARLIWWNQYTICRCESALHVWVPPLLARGGRDGVILLTSLLYPSLIFDITKLLIAALGPLYLIQATITATPYFVRAHVLVRLCMLVRSVMGGKYFQMIILSLADGSNTYLYDHLAPMQHWAAAGLKDLAVATEPVIFSPMEIKVITWGADTAACGDILCGLPVSARLGREVLLGPADDYREMGWRLLAPITAYAQQTRGLLGTIVTSLTGRDKNVVAGEVQVLSTATQTFLGTTVGGVMWTVYHGAGSRTLAGVKHPALQMYTNVDQDLVGWPAPPGAKSLEPCTCGSADLYLVTRDADVIPARRRGDSTASLLSPRPLARLKGSSGGPVMCPSGHVAGIFRAAVCTRGVAKALQFIPVETLSTQARSPSFSDNSTPPAVPQSYQVGYLHAPTGSGKSTKVPAAYVAQGYNVLVLNPSVAATLGFGSFMSRAYGIDPNIRTGNRTVTTGAKLTYSTYGKFLAGGGCSGGAYDVIICDDCHAQDATSILGIGTVLDQAETAGVRLTVLATATPPGSITVPHSNIEEVALGSEGEIPFYGKAIPIACIKGGRHLIFCHSKKKCDKMASKLRGMGLNAVAYYRGLDVSVIPTTGDVVVCATDALMTGFTGDFDSVIDCNVAVEQYVDFSLDPTFSIETCTAPQDAVSRSQRRGRTGRGRLGTYRYVTPGERPSGMFDSVVLCECYDAGCSWYDLQPAETTVRLRAYLSTPGLPVCQDHLDLWESVFTGLTHIDAHFLSQTKQAGLNFSYLTAYQATVCARAQAPPPSWDETWKCLVRLKPTLHGPTPLLYRLGPVQNEICLTHPITKYVMACMSADLEVTTSTWVLLGGVLAAVAAYCLSVGCVVIVGHIELGGKPALVPDKEVLYQQYDEMEECSQARPYIEQAQVIAHQFKEKVLGLLQRATQQQAVIEPIVVSNWQKLEVLWHKHMWNFVSGIQYLAGLSTLPGNPAVASLMAFTASVTSPLTTNQTMFFNILGGWVATHLAGPQASSAFVVSGLAGAAIGGIGLGRVLLDILAGYGAGVSGALVAFKIMGGEPPTTEDMVNLLPAILSPGALVVGVICAAILRRHVGPGEGPVQWMNRLIAFASRGNHVSPAHYVPESDAAARVTALLSSLTVTSLLRRLHQWINEDYPSPCSGDWLRIIWDWVCSVVSDFKTWLSAKIMPALPGLPFISCQKGYKGVWRGDGVMSTRCPCGASIAGHVKNGSMRLAGPRTCANMCHGTFPINEYTTGPSTPCPPPNYTRALWRVAANSYVEVRRVGDFHYITGATEDGLKCPCQVPATEFFTEVDGVRIHRYAPPCRPLLRDEITFMVGLNSYAIGSQLPCEPEPDVSVLTSMLRDPSHITAETAARRLARGSPPSEASSSASQLSAPSLKATCQTHRPHPDAELVDANLLWRQEMGSNITRVESETKVVILDSFEPLRAETDDAELSAAAECFKKPPKYPPALPIWARPDYNPPLLDRWKSPDYVPPTVHGCALPPKGAPPVPPPRRKRTIQLDGSNVSAALAALAEKSFPSSKPQEENSSSSGVDTQSSTASKVLPSPGEESDSESCSSMPPLEGEPGDPDLSCDSWSTVSDSEEQSVVCCSMSYSWTGALITPCSAEEEKLPISPLSNSLLRHHNLVYSTSSRSASQRQKKVTFDRLQVLDDHYKTALQEVKERASRVKARMLSIEEACALVPPHSARSKFGYSAKDVRSLSSKAINQIRSVWEDLLEDTTTPIPTTIMAKNEVFCVDPAKGGRKAARLIVYPDLGVRVCEKRALYDVIQRLSIETMGSAYGFQYSPRQRVERLLKMWTSKKTPLGFSYDTRCFDSTVTGQDIRVEEAVYQCCNLEPEPGQAISSLTERLYCGGPMNNSKGAQCGYLRCRASGVLPTSFGNTITCYIKATAAARAAGLRNPDFLVCGDDLVVVAESDGVDEDRATLRAFTEAMTRYSAPPGDAPQPTYDLELITSCSSNVSVARDDKGKRYYYLTRDATTPLARAAWETARHTPVNSWLGSIIMYAPTIWVRMVMMTHFFSILQSQEILDRPLDFEMYGATYSVTPLDLPAIIERLHGLSAFSVHSYSPVELNRVAGTLRKLGCPPLRAWRHRARAVRAKLIAQGGRAKICGLYLFNWAVRTKTKLTPLPAAGQLDLSSWFTVGVGGNDIYHSVSRARTRYLLLCLLLLTVGVGIFLLPAR
  
Inhibitor
Name:
BDBM486225
Synonyms:
US10947210, Compound 13-7B
Type:
Small organic molecule
Emp. Form.:
C34H37FN2O7S
Mol. Mass.:
636.73
SMILES:
CNC(=O)c1c(oc2cc(N(CCCOCCCc3ccc(cc3)C(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: