Target
Genome polyprotein
Ligand
BDBM486282
Substrate
n/a
Meas. Tech.
RNA-Dependent RNA HCV NS5B (polymerase) Assay and IC50 Determination
IC50
550±n/a nM
Citation
 Jacobson, ICFeese, MDLee, 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:
BDBM486282
Synonyms:
US10947210, Compound 14-7B
Type:
Small organic molecule
Emp. Form.:
C33H35FN2O9S
Mol. Mass.:
654.702
SMILES:
CNC(=O)c1c(oc2cc(N(CCOCCOCCOc3cccc(c3)C(O)=O)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: