Target
Replicase polyprotein 1ab
Ligand
BDBM420337
Substrate
n/a
Meas. Tech.
IC50 Determination
IC50
1100±100 nM
Citation
 St. John, SEMesecar, AD Broad-spectrum non-covalent coronavirus protease inhibitors US Patent  US9975885 Publication Date 5/22/2018 
Target
Name:
Replicase polyprotein 1ab
Synonyms:
ORF1ab polyprotein | R1AB_BCHK4 | pp1ab | rep
Type:
Protein
Mol. Mass.:
795222.79
Organism:
BtCoV
Description:
P0C6W3
Residue:
7119
Sequence:
MLSKASVTTQGARGKYRAELYNEKRSDHVACTVPLCDTDDMACKLTPWFEDGETAFNQVSSILKEKGKILFVPMHMQRAMKFLPGPRVYLVERLTGGMLSKHFLVNQLAYKDQVGAAMMRTTLNAKPLGMFFPYDSSLETGEYTFLLRKNGLGGQLFRERPWDRKETPYVEILDDLEADPTGKYSQNLLKKLIGGDCIPIDQYMCGKNGKPIADYAKIVAKEGLTTLADIEVDVKSRMDSDRFIVLNKKLYRVVWNVTRRNVPYPKQTAFTIVSVVQCDDKDSVPEHTFTIGSQILMVSPLKATNNKNFNLKQRLLYTFYGKDAVQQPGYIYHSAYVDCNACGRGTWCTGNAIQGFACDCGANYSANDVDLQSSGLVPRNALFLANCPCANNGACSHSAAQVYNILDGKACVEVGGKSFTLTFGGVVYAYMGCCDGTMYFVPRAKSCVSRIGDAIFTGCTGTWDKVVETANLFLEKAQRSLNFCQQFALTEVVLAILSGTTSTFEELRDLCHNASYEKVRDHLVNHGFVVTIGDYIRDAINIGANGVCNATINAPFIAFTGLGESFKKVSAIPWKICSNLKSALDYYSSNIMFRVFPYDIPCDVSNFVELLLDCGKLTVATSYFVLRYLDEKFDTVLGTVSSACQTALSSFLNACVAASRATAGFINDMFKLFKVLMHKLYVYTSCGYVAVAEHSSKIVQQVLDIMSKAMKLLHTNVSWAGTKLSAIIYEGREALLFNSGTYFCLSTKAKTLQGQMNLVLPGDYNKKTLGILDPVPNADTIDVNANSTVVDVVHGQLEPTNEHGPSMIVGNYVLVSDKLFVRTEDEEFYPLCTNGKVVSTLFRLKGGMPSKKVTFGDVNTVEVTAYRSVSITYDIHPVLDALLSSSKLATFTVEKDLLVEDFVDVIKDEVLTLLTPLLRGYDIDGFDVEDFIDVPCYVYNQDGDCAWSSNMTFSINPVEDVEEVEEFIEDDYLSDELPIADDEEAWARAVEEVMPLDDILVAEIELEEDPPLETALESVEAEVVETAEAQEPSVESIDSTPSTSTVVGENDLSVKPMSRVAETDDVLELETAVVGGPVSDVTAIVTNDIVSVEQAQQCGVSSLPIQDEASENQVHQVSDLQGNELLCSETKVEIVQPRQDLKPRRSRKSKVDLSKYKHTVINNSVTLVLGDAIQIASLLPKCILVNAANRHLKHGGGIAGVINKASGGDVQEESDEYISNNGPLHVGDSVLLKGHGLADAILHVVGPDARNNEDAALLKRCYKAFNKHTIVVTPLISAGIFSVDPKVSFEYLLANVTTTTYVVVNNEDIYNTLATPSKPDGLVYSFEGWRGTVRTAKNYGFTCFICTEYSANVKFLRTKGVDTTKKIQTVDGVSYYLYSARDALTDVIAAANGCSGICAMPFGYVTHGLDLAQSGNYVRQVKVPYVCLLASKEQIPIMNSDVAIQTPETAFINNVTSNGGYHSWHLVSGDLIVKDVCYKKLLHWSGQTICYADNKFYVVKNDVALPFSDLEACRAYLTSRAAQQVNIEVLVTIDGVNFRTVILNDTTTFRKQLGATFYKGVDISDAFPTVKMGGESLFVADNLSESEKVVLKEYYGTSDVTFLQRYYSLQPLVQQWKFVVHDGVKSLKLSNYNCYINATIMMIDMLHDIKFVVPALQNAYLRYKGGDPYDFLALIMAYGDCTFDNPDDEAKLLHTLLAKAELTVSAKMVWREWCTVCGIRDIEYTGMRACVYAGVNSMEELQSVFNETCVCGSVKHRQLVEHSAPWLLVSGLNEVKVSTSTDPIYRAFNVFQGVETSVGHYVHIRVKDGLFYKYDSGSLTKTSDMKCKMTSVWYPTVRYTADCNVVVYDLDGVTKVEVNPDLSNYYMKDGKYYTSKPTIKYSPATILPGSVYSNSCLVGVDGTPGSDTISKFFNDLLGFDETKPISKKLTYSLLPNEDGDVLLSEFSNYNPVYKKGVMLKGKPILWVNNGVCDSALNKPNRASLRQLYDVAPIVLDNKYTVLQDNTSQLVEHNVPVVDDVPITTRKLIEVKCKGLNKPFVKGNFSFVNDPNGVTVVDTLGLTELRALYVDINTRYIVLRDNNWSSLFKLHTVESGDLQIVAAGGSVTRRARVLLGASSLFASFAKITVTATTAACKTAGRGFCKFVVNYGVLQNMFVFLKMLFFLPFNYLWPKKQPTVDIGVSGLRTAGIVTTNIVKQCGTAAYYMLLGKFKRVDWKATLRLFLLLCTTILLLSSIYHLVLFNQVLSSDVMLEDATGILAIYKEVRSYLGIRTLCDGLVVEYRNTSFDVMEFCSNRSVLCQWCLIGQDSLTRYSALQMLQTHITSYVLNIDWIWFALEFFLAYVLYTSSFNVLLLVVTAQYFFAYTSAFVNWRAYNYIVSGLFFLVTHIPLHGLVRVYNFLACLWFLRKFYSHVINGCKDTACLLCYKRNRLTRVEASTIVCGTKRTFYIAANGGTSYCCKHNWNCVECDTAGVGNTFICTEVANDLTTTLRRLIKPTDQSHYYVDSVVVKDAVVELHYNRDGSSCYERYPLCYFTNLEKLKFKEVCKTPTGIPEHNFLIYDTNDRGQENLARSACVYYSQVLCKPMLLVDVNLVTTVGDSREIAIKMLDSFINSFISLFSVSRDKLEKLINTARDCVRRGDDFQNVLKTFTDAARGHAGVESDVETTMVVDALQYAHKNDIQLTTECYNNYVPGYIKPDSINTLDLGCLIDLKAASVNQTSMRNANGACVWNSGDYMKLSDSFKRQIRIACRKCNIPFRLTTSKLRAADNILSVKFSATKIVGGAPSWLLRVRDLTVKGYCILTLFVFTVAVLSWFCLPSYSIATVNFNDDRILTYKVIENGIVRDIAPNDVCFANKYGHFSKWFNENHGGVYRNSMDCPITIAVIAGVAGARVANVPANLAWVGKQIVLFVSRVFANTNVCFTPINEIPYDTFSDSGCVLSSECTLFRDAEGNLNPFCYDPTVLPGASSYADMKPHVRYDMYDSDMYIKFPEVIVESTLRITKTLATQYCRFGSCEESAAGVCISTNGSWALYNQNYSTRPGIYCGDDYFDIVRRLAISLFQPVTYFQLSTSLAMGLVLCVFLTAAFYYINKVKRALADYTQCAVVAVVAALLNSLCLCFIVANPLLVAPYTAMYYYATFYLTGEPAFIMHISWYVMFGAVVPIWMLASYTVGVMLRHLFWVLAYFSKKHVDVFTDGKLNCSFQDAASNIFVIGKDTYVALRNAITQDSFVRYLSLFNKYKYYSGAMDTASYREACAAHLCKALQTYSETGSDILYQPPNCSVTSSVLQSGLVKMSAPSGAVENCIVQVTCGSMTLNGLWLDNTVWCPRHIMCPADQLTDPNYDALLISKTNHSFIVQKHIGAQANLRVVAHSMVGVLLKLTVDVANPSTPAYTFSTVKPGASFSVLACYNGKPTGVFTVNLRHNSTIKGSFLCGSCGSVGYTENGGVINFVYMHQMELSNGTHTGSSFDGVMYGAFEDKQTHQLQLTDKYCTINVVAWLYAAVLNGCKWFVKPTRVGIVTYNEWALSNQFTEFVGTQSIDMLAHRTGVSVEQMLAAIQSLHAGFQGKTILGQSTLEDEFTPDDVNMQVMGVVMQSGVKRISYGFIHWLISTFVLAYVSVMQLTKFTMWTYLFETIPTQMTPLLLGFMACVMFTVKHKHTFMSLFLLPVALCLTYANIVYEPQTLISSTLIAVANWLTPTSVYMRTTHFDFGLYISLSFVLAIIVRRLYRPSMSNLALALCSGVMWFYTYVIGDHSSPITYLMFITTLTSDYTITVFATVNLAKFISGLVFFYAPHLGFILPEVKLVLLIYLGLGYMCTMYFGVFSLLNLKLRVPLGVYDYSVSTQEFRFLTGNGLHAPRNSWEALILNFKLLGIGGTPCIKVATVQSKLTDLKCTSVVLLTVLQQLHLESNSKAWSYCVKLHNEILAAVDPTEAFERFVCLFATLMSFSANVDLDALANDLFENSSVLQATLTEFSHLATYAELETAQSSYQKALNSGDASPQVLKALQKAVNVAKNAYEKDKAVARKLERMAEQAMTSMYKQARAEDKKAKIVSAMQTMLFGMIKKLDNDVLNGVIANARNGCVPLSIVPLCASNKLRVVIPDISVWNKVVNWPSVSYAGSLWDITVINNVDNEVVKPTDVVETNESLTWPLVIECSRSSSSAVKLQNNEIHPKGLKTMVITAGVDQVNCNSSAVAYYEPVQGHRMVMGLLSENAHLKWAKVEGKDGFINIELQPPCKFLIAGPKGPEIRYLYFVKNLNNLHRGQLLGHIAATVRLQAGANTEFASNSTVLTLVAFAVDPAKAYLDYVGSGGTPLSNYVKMLAPKTGTGVAISVKPEATADQETYGGASVCLYCRAHIEHPDVSGVCKYKTRFVQIPAHVRDPVGFLLKNVPCNVCQYWVGYGCNCDALRNNTVPQSKDTNFLNRVRGSSVNARLEPCSSGLTTDVVYRAFDICNFKARVAGIGKYYKTNTCRFVQVDDEGHKLDSYFIVKRHTMSNYELEKRCYDLLKDCDAVAIHDFFIFDVDKTKTPHIVRQSLTEYTMMDLVYALRHFDQNNCEVLKSILVKYGCCEQSYFDNKLWFDFVENPSVIGVYHKLGERIRQAMLNTVKMCDHMVKSGLVGVLTLDNQDLNGKWYDFGDFVITQPGAGVAIVDSYYSYLMPVLSMTNCLAAETHKDCDFNKPLIEWPLLEYDYTDYKIGLFNKYFKYWDQTYHPNCVNCSDDRCILHCANFNVLFSMVLPNTSFGPIVRKIFVDGVPFIVSCGYHYKELGLVMNMDFNIHRHRLALKELMMYAADPAMHIASASALWDLRTPCFSVAALTTGLTFQTVRPGNFNKDFYDFVVSRGFFKEGSSVTLKHFFFAQDGHAAITDYSYYAYNLPTMVDIKQMLFCMEVVDKYFDIYDGGCLNASEVIVNNLDKSAGHPFNKFGKARVYYESMSYQEQDELFAVTKRNVLPTITQMNLKYAISAKNRARTVAGVSILSTMTNRQYHQKMLKSMAATRGATCVIGTTKFYGGWDFMLKTLYKDVESPHLMGWDYPKCDRAMPNMCRILASLILARKHSTCCTNSDRFYRLANECAQVLSEYVLCGGGYYVKPGGTSSGDATTAYANSVFNILQATTANVSALMSANGNTIIDREIKDMQFDLYINVYRKVVPDPKFVDKYYAFLNKHFSMMILSDDGVVCYNSDYAAKGYVASIQNFKETLYYQNNVFMSEAKCWVETNLEKGPHEFCSQHTLYIKDGDDGYFLPYPDPSRILSAGCFVDDIVKTDGTVMMERYVSLAIDAYPLTKHDDTEYQNVFWVYLQYIEKLYKDLTGHMLDSYSVMLCGDDSAKFWEEGFYRDLYSSPTTLQAVGSCVVCHSQTSLRCGTCIRRPFLCCKCCYDHVIATPHKMVLSVSPYVCNAPGCDVSDVTKLYLGGMSYYCNDHRPVCSFPLCANGLVFGLYKNMCTGSSSIMEFNRLATCDWSDSGDYTLANTTTEPLKLFAAETLRATEEASKQSYAIATIKEIVGERELILVWEVGKSKPPLNRNYVFTGYHLTKNSKVQLGEYVFERIDYSDAVSYKSSTTYKLAVGDIFVLTSHSVATLSAPTIVNQERYLKITGIYPTITVPEEFANHVVNFQKAGFSKYVTVQGPPGTGKSHFAIGLAIYYPTARIVYTACSHAAVDALCEKAFKYLNIAKCSRIIPAKARVECYDRFKVNDTNSQYLFSTVNALPEISVDILVVDEVSMCTNYDLSIINSRVKAKHIVYVGDPAQLPAPRTLLIRGTLEPENFNSVTRLMCNLGPDIFLSVCYRCPKEIVSTVSALVYNNKLSAKKDASGQCFKILFKGSVTHDASSAINRPQLNFVKTFIAANPNWSKAVFISPYNSQNAVARSMLGLTTQTVDSSQGSEYPYVIFCQTADTAHANNLNRFNVAVTRAQKGILCVMTSQVLFDSLEFAELSLNNYKLQSQIVTGLFKDCSREDTGLPPAYAPTYLSVDAKYKTTDELCVNLNITPNVTYSRVISRMGFKLDATIPGYPKLFITRDEAIRQVRSWVGFDVEGAHASRNACGTNVPLQLGFSTGVNFVVQPVGVVDTEWGSMLTTISARPPPGEQFKHLVPLMNKGATWPIVRRRIVQMLSDTLDKLSDYCTFVCWAHGFELTSASYFCKIGKEQRCSMCSRRASTFSSPLQSYACWSHSSGYDYVYNPFFVDVQQWGYVGNLATNHDRYCGIHAGAHVASSDAIMTRCLAIYDCFIERVDWDVTYPYISHEQKLNSCCRTVERNVVRSAVLSGKFEKIYDIGNPKGIAIISEPVEWHFYDAQPLSNKVKKLFYTDDVSKQFEDGLCLFWNCNVSKYPSNAVVCRFDTRVHSEFNLPGCNGGSLYVNKHAFHTPAYDINAFRDLKPLPFFYYSTTPCEVHGSGNMLEDIDYVPLKSAVCITACNLGGAVCRKHAAEYRDYMEAYNIVSAAGFRLWVYKTFDIYNLWSTFVKVQGLENIAFNVIKQGHFTGVDGELPVAVVNDKIFTKNGTDDVCIFKNETALPTNVAFELYAKRAVRSHPDLNLLRNLEVDVCYNFVLWDYDRNNIYGTTTIGVCKYTDIDVNPNLNMCFDIRDKGSLERFMSMPNGVLISDRKIKNYPCISGPKHAYFNGAILRNIDAKQPVIFYLYKKVNNEFVSFSDTFYTCGRTVGDFTVLTPMEEDFLVLDSDVFIKKYGLEDYAFEHVVYGDFSHTTLGGLHLLIGLYKKMREGHILMEEMLKDRATVHNYFITDSNTASYKAVCSVIDLRLDDFVTIIKEMDLDVVSKVVKVPIDLTMIEFMLWCRDGKVQTFYPRLQATNDWKPGLTMPSLFKVQQMNLEPCLLANYKQSIPMPNGVHMNVAKYMQLCQYLNTCTLAVPANMRVIHFGAGCEKGVAPGTSVLRQWLPLDAVLIDNDLNEFVSDADITIFGDCVTVHVGQQVDLLISDMYDPCTKAVGEVNQTKALFFVYLCNFIKNNLALGGSVAIKITEHSWSADLYKIMGRFAYWTVFCTNANASSSEGFLIGINFLGELKEEIDGNVMHANYIFWRNSTPMNLSTYSLFDLSRFPLKLKGTPVLQLKESQINELVISLLSQGKLLIRDNDTLNVSTDVLVNFRKRL
  
Inhibitor
Name:
BDBM420337
Synonyms:
US9975885, Compound 1P
Type:
Small organic molecule
Emp. Form.:
C33H31FN6O3
Mol. Mass.:
578.636
SMILES:
CC(C)C(=O)Nc1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1cccc(F)c1)C(=O)Cn1nnc2ccccc12
Structure:
Search PDB for entries with ligand similarity: