| Reaction Details |
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 | Report a problem with these data |
| Target | Replicase polyprotein 1ab |
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| Ligand | BDBM420981 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | IC50 Determination |
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| IC50 | 2100±200 nM |
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| Citation |  St. John, SE; Mesecar, AD Broad-spectrum non-covalent coronavirus protease inhibitors US Patent US9975885 Publication Date 5/22/2018 |
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| More Info.: | Get all data from this article, Assay Method |
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| Replicase polyprotein 1ab |
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| Name: | Replicase polyprotein 1ab |
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| Synonyms: | ORF1ab polyprotein | R1AB_BCHK4 | pp1ab | rep |
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| Type: | Protein |
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| Mol. Mass.: | 795222.79 |
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| Organism: | BtCoV |
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| Description: | P0C6W3 |
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| Residue: | 7119 |
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| Sequence: | MLSKASVTTQGARGKYRAELYNEKRSDHVACTVPLCDTDDMACKLTPWFEDGETAFNQVS
SILKEKGKILFVPMHMQRAMKFLPGPRVYLVERLTGGMLSKHFLVNQLAYKDQVGAAMMR
TTLNAKPLGMFFPYDSSLETGEYTFLLRKNGLGGQLFRERPWDRKETPYVEILDDLEADP
TGKYSQNLLKKLIGGDCIPIDQYMCGKNGKPIADYAKIVAKEGLTTLADIEVDVKSRMDS
DRFIVLNKKLYRVVWNVTRRNVPYPKQTAFTIVSVVQCDDKDSVPEHTFTIGSQILMVSP
LKATNNKNFNLKQRLLYTFYGKDAVQQPGYIYHSAYVDCNACGRGTWCTGNAIQGFACDC
GANYSANDVDLQSSGLVPRNALFLANCPCANNGACSHSAAQVYNILDGKACVEVGGKSFT
LTFGGVVYAYMGCCDGTMYFVPRAKSCVSRIGDAIFTGCTGTWDKVVETANLFLEKAQRS
LNFCQQFALTEVVLAILSGTTSTFEELRDLCHNASYEKVRDHLVNHGFVVTIGDYIRDAI
NIGANGVCNATINAPFIAFTGLGESFKKVSAIPWKICSNLKSALDYYSSNIMFRVFPYDI
PCDVSNFVELLLDCGKLTVATSYFVLRYLDEKFDTVLGTVSSACQTALSSFLNACVAASR
ATAGFINDMFKLFKVLMHKLYVYTSCGYVAVAEHSSKIVQQVLDIMSKAMKLLHTNVSWA
GTKLSAIIYEGREALLFNSGTYFCLSTKAKTLQGQMNLVLPGDYNKKTLGILDPVPNADT
IDVNANSTVVDVVHGQLEPTNEHGPSMIVGNYVLVSDKLFVRTEDEEFYPLCTNGKVVST
LFRLKGGMPSKKVTFGDVNTVEVTAYRSVSITYDIHPVLDALLSSSKLATFTVEKDLLVE
DFVDVIKDEVLTLLTPLLRGYDIDGFDVEDFIDVPCYVYNQDGDCAWSSNMTFSINPVED
VEEVEEFIEDDYLSDELPIADDEEAWARAVEEVMPLDDILVAEIELEEDPPLETALESVE
AEVVETAEAQEPSVESIDSTPSTSTVVGENDLSVKPMSRVAETDDVLELETAVVGGPVSD
VTAIVTNDIVSVEQAQQCGVSSLPIQDEASENQVHQVSDLQGNELLCSETKVEIVQPRQD
LKPRRSRKSKVDLSKYKHTVINNSVTLVLGDAIQIASLLPKCILVNAANRHLKHGGGIAG
VINKASGGDVQEESDEYISNNGPLHVGDSVLLKGHGLADAILHVVGPDARNNEDAALLKR
CYKAFNKHTIVVTPLISAGIFSVDPKVSFEYLLANVTTTTYVVVNNEDIYNTLATPSKPD
GLVYSFEGWRGTVRTAKNYGFTCFICTEYSANVKFLRTKGVDTTKKIQTVDGVSYYLYSA
RDALTDVIAAANGCSGICAMPFGYVTHGLDLAQSGNYVRQVKVPYVCLLASKEQIPIMNS
DVAIQTPETAFINNVTSNGGYHSWHLVSGDLIVKDVCYKKLLHWSGQTICYADNKFYVVK
NDVALPFSDLEACRAYLTSRAAQQVNIEVLVTIDGVNFRTVILNDTTTFRKQLGATFYKG
VDISDAFPTVKMGGESLFVADNLSESEKVVLKEYYGTSDVTFLQRYYSLQPLVQQWKFVV
HDGVKSLKLSNYNCYINATIMMIDMLHDIKFVVPALQNAYLRYKGGDPYDFLALIMAYGD
CTFDNPDDEAKLLHTLLAKAELTVSAKMVWREWCTVCGIRDIEYTGMRACVYAGVNSMEE
LQSVFNETCVCGSVKHRQLVEHSAPWLLVSGLNEVKVSTSTDPIYRAFNVFQGVETSVGH
YVHIRVKDGLFYKYDSGSLTKTSDMKCKMTSVWYPTVRYTADCNVVVYDLDGVTKVEVNP
DLSNYYMKDGKYYTSKPTIKYSPATILPGSVYSNSCLVGVDGTPGSDTISKFFNDLLGFD
ETKPISKKLTYSLLPNEDGDVLLSEFSNYNPVYKKGVMLKGKPILWVNNGVCDSALNKPN
RASLRQLYDVAPIVLDNKYTVLQDNTSQLVEHNVPVVDDVPITTRKLIEVKCKGLNKPFV
KGNFSFVNDPNGVTVVDTLGLTELRALYVDINTRYIVLRDNNWSSLFKLHTVESGDLQIV
AAGGSVTRRARVLLGASSLFASFAKITVTATTAACKTAGRGFCKFVVNYGVLQNMFVFLK
MLFFLPFNYLWPKKQPTVDIGVSGLRTAGIVTTNIVKQCGTAAYYMLLGKFKRVDWKATL
RLFLLLCTTILLLSSIYHLVLFNQVLSSDVMLEDATGILAIYKEVRSYLGIRTLCDGLVV
EYRNTSFDVMEFCSNRSVLCQWCLIGQDSLTRYSALQMLQTHITSYVLNIDWIWFALEFF
LAYVLYTSSFNVLLLVVTAQYFFAYTSAFVNWRAYNYIVSGLFFLVTHIPLHGLVRVYNF
LACLWFLRKFYSHVINGCKDTACLLCYKRNRLTRVEASTIVCGTKRTFYIAANGGTSYCC
KHNWNCVECDTAGVGNTFICTEVANDLTTTLRRLIKPTDQSHYYVDSVVVKDAVVELHYN
RDGSSCYERYPLCYFTNLEKLKFKEVCKTPTGIPEHNFLIYDTNDRGQENLARSACVYYS
QVLCKPMLLVDVNLVTTVGDSREIAIKMLDSFINSFISLFSVSRDKLEKLINTARDCVRR
GDDFQNVLKTFTDAARGHAGVESDVETTMVVDALQYAHKNDIQLTTECYNNYVPGYIKPD
SINTLDLGCLIDLKAASVNQTSMRNANGACVWNSGDYMKLSDSFKRQIRIACRKCNIPFR
LTTSKLRAADNILSVKFSATKIVGGAPSWLLRVRDLTVKGYCILTLFVFTVAVLSWFCLP
SYSIATVNFNDDRILTYKVIENGIVRDIAPNDVCFANKYGHFSKWFNENHGGVYRNSMDC
PITIAVIAGVAGARVANVPANLAWVGKQIVLFVSRVFANTNVCFTPINEIPYDTFSDSGC
VLSSECTLFRDAEGNLNPFCYDPTVLPGASSYADMKPHVRYDMYDSDMYIKFPEVIVEST
LRITKTLATQYCRFGSCEESAAGVCISTNGSWALYNQNYSTRPGIYCGDDYFDIVRRLAI
SLFQPVTYFQLSTSLAMGLVLCVFLTAAFYYINKVKRALADYTQCAVVAVVAALLNSLCL
CFIVANPLLVAPYTAMYYYATFYLTGEPAFIMHISWYVMFGAVVPIWMLASYTVGVMLRH
LFWVLAYFSKKHVDVFTDGKLNCSFQDAASNIFVIGKDTYVALRNAITQDSFVRYLSLFN
KYKYYSGAMDTASYREACAAHLCKALQTYSETGSDILYQPPNCSVTSSVLQSGLVKMSAP
SGAVENCIVQVTCGSMTLNGLWLDNTVWCPRHIMCPADQLTDPNYDALLISKTNHSFIVQ
KHIGAQANLRVVAHSMVGVLLKLTVDVANPSTPAYTFSTVKPGASFSVLACYNGKPTGVF
TVNLRHNSTIKGSFLCGSCGSVGYTENGGVINFVYMHQMELSNGTHTGSSFDGVMYGAFE
DKQTHQLQLTDKYCTINVVAWLYAAVLNGCKWFVKPTRVGIVTYNEWALSNQFTEFVGTQ
SIDMLAHRTGVSVEQMLAAIQSLHAGFQGKTILGQSTLEDEFTPDDVNMQVMGVVMQSGV
KRISYGFIHWLISTFVLAYVSVMQLTKFTMWTYLFETIPTQMTPLLLGFMACVMFTVKHK
HTFMSLFLLPVALCLTYANIVYEPQTLISSTLIAVANWLTPTSVYMRTTHFDFGLYISLS
FVLAIIVRRLYRPSMSNLALALCSGVMWFYTYVIGDHSSPITYLMFITTLTSDYTITVFA
TVNLAKFISGLVFFYAPHLGFILPEVKLVLLIYLGLGYMCTMYFGVFSLLNLKLRVPLGV
YDYSVSTQEFRFLTGNGLHAPRNSWEALILNFKLLGIGGTPCIKVATVQSKLTDLKCTSV
VLLTVLQQLHLESNSKAWSYCVKLHNEILAAVDPTEAFERFVCLFATLMSFSANVDLDAL
ANDLFENSSVLQATLTEFSHLATYAELETAQSSYQKALNSGDASPQVLKALQKAVNVAKN
AYEKDKAVARKLERMAEQAMTSMYKQARAEDKKAKIVSAMQTMLFGMIKKLDNDVLNGVI
ANARNGCVPLSIVPLCASNKLRVVIPDISVWNKVVNWPSVSYAGSLWDITVINNVDNEVV
KPTDVVETNESLTWPLVIECSRSSSSAVKLQNNEIHPKGLKTMVITAGVDQVNCNSSAVA
YYEPVQGHRMVMGLLSENAHLKWAKVEGKDGFINIELQPPCKFLIAGPKGPEIRYLYFVK
NLNNLHRGQLLGHIAATVRLQAGANTEFASNSTVLTLVAFAVDPAKAYLDYVGSGGTPLS
NYVKMLAPKTGTGVAISVKPEATADQETYGGASVCLYCRAHIEHPDVSGVCKYKTRFVQI
PAHVRDPVGFLLKNVPCNVCQYWVGYGCNCDALRNNTVPQSKDTNFLNRVRGSSVNARLE
PCSSGLTTDVVYRAFDICNFKARVAGIGKYYKTNTCRFVQVDDEGHKLDSYFIVKRHTMS
NYELEKRCYDLLKDCDAVAIHDFFIFDVDKTKTPHIVRQSLTEYTMMDLVYALRHFDQNN
CEVLKSILVKYGCCEQSYFDNKLWFDFVENPSVIGVYHKLGERIRQAMLNTVKMCDHMVK
SGLVGVLTLDNQDLNGKWYDFGDFVITQPGAGVAIVDSYYSYLMPVLSMTNCLAAETHKD
CDFNKPLIEWPLLEYDYTDYKIGLFNKYFKYWDQTYHPNCVNCSDDRCILHCANFNVLFS
MVLPNTSFGPIVRKIFVDGVPFIVSCGYHYKELGLVMNMDFNIHRHRLALKELMMYAADP
AMHIASASALWDLRTPCFSVAALTTGLTFQTVRPGNFNKDFYDFVVSRGFFKEGSSVTLK
HFFFAQDGHAAITDYSYYAYNLPTMVDIKQMLFCMEVVDKYFDIYDGGCLNASEVIVNNL
DKSAGHPFNKFGKARVYYESMSYQEQDELFAVTKRNVLPTITQMNLKYAISAKNRARTVA
GVSILSTMTNRQYHQKMLKSMAATRGATCVIGTTKFYGGWDFMLKTLYKDVESPHLMGWD
YPKCDRAMPNMCRILASLILARKHSTCCTNSDRFYRLANECAQVLSEYVLCGGGYYVKPG
GTSSGDATTAYANSVFNILQATTANVSALMSANGNTIIDREIKDMQFDLYINVYRKVVPD
PKFVDKYYAFLNKHFSMMILSDDGVVCYNSDYAAKGYVASIQNFKETLYYQNNVFMSEAK
CWVETNLEKGPHEFCSQHTLYIKDGDDGYFLPYPDPSRILSAGCFVDDIVKTDGTVMMER
YVSLAIDAYPLTKHDDTEYQNVFWVYLQYIEKLYKDLTGHMLDSYSVMLCGDDSAKFWEE
GFYRDLYSSPTTLQAVGSCVVCHSQTSLRCGTCIRRPFLCCKCCYDHVIATPHKMVLSVS
PYVCNAPGCDVSDVTKLYLGGMSYYCNDHRPVCSFPLCANGLVFGLYKNMCTGSSSIMEF
NRLATCDWSDSGDYTLANTTTEPLKLFAAETLRATEEASKQSYAIATIKEIVGERELILV
WEVGKSKPPLNRNYVFTGYHLTKNSKVQLGEYVFERIDYSDAVSYKSSTTYKLAVGDIFV
LTSHSVATLSAPTIVNQERYLKITGIYPTITVPEEFANHVVNFQKAGFSKYVTVQGPPGT
GKSHFAIGLAIYYPTARIVYTACSHAAVDALCEKAFKYLNIAKCSRIIPAKARVECYDRF
KVNDTNSQYLFSTVNALPEISVDILVVDEVSMCTNYDLSIINSRVKAKHIVYVGDPAQLP
APRTLLIRGTLEPENFNSVTRLMCNLGPDIFLSVCYRCPKEIVSTVSALVYNNKLSAKKD
ASGQCFKILFKGSVTHDASSAINRPQLNFVKTFIAANPNWSKAVFISPYNSQNAVARSML
GLTTQTVDSSQGSEYPYVIFCQTADTAHANNLNRFNVAVTRAQKGILCVMTSQVLFDSLE
FAELSLNNYKLQSQIVTGLFKDCSREDTGLPPAYAPTYLSVDAKYKTTDELCVNLNITPN
VTYSRVISRMGFKLDATIPGYPKLFITRDEAIRQVRSWVGFDVEGAHASRNACGTNVPLQ
LGFSTGVNFVVQPVGVVDTEWGSMLTTISARPPPGEQFKHLVPLMNKGATWPIVRRRIVQ
MLSDTLDKLSDYCTFVCWAHGFELTSASYFCKIGKEQRCSMCSRRASTFSSPLQSYACWS
HSSGYDYVYNPFFVDVQQWGYVGNLATNHDRYCGIHAGAHVASSDAIMTRCLAIYDCFIE
RVDWDVTYPYISHEQKLNSCCRTVERNVVRSAVLSGKFEKIYDIGNPKGIAIISEPVEWH
FYDAQPLSNKVKKLFYTDDVSKQFEDGLCLFWNCNVSKYPSNAVVCRFDTRVHSEFNLPG
CNGGSLYVNKHAFHTPAYDINAFRDLKPLPFFYYSTTPCEVHGSGNMLEDIDYVPLKSAV
CITACNLGGAVCRKHAAEYRDYMEAYNIVSAAGFRLWVYKTFDIYNLWSTFVKVQGLENI
AFNVIKQGHFTGVDGELPVAVVNDKIFTKNGTDDVCIFKNETALPTNVAFELYAKRAVRS
HPDLNLLRNLEVDVCYNFVLWDYDRNNIYGTTTIGVCKYTDIDVNPNLNMCFDIRDKGSL
ERFMSMPNGVLISDRKIKNYPCISGPKHAYFNGAILRNIDAKQPVIFYLYKKVNNEFVSF
SDTFYTCGRTVGDFTVLTPMEEDFLVLDSDVFIKKYGLEDYAFEHVVYGDFSHTTLGGLH
LLIGLYKKMREGHILMEEMLKDRATVHNYFITDSNTASYKAVCSVIDLRLDDFVTIIKEM
DLDVVSKVVKVPIDLTMIEFMLWCRDGKVQTFYPRLQATNDWKPGLTMPSLFKVQQMNLE
PCLLANYKQSIPMPNGVHMNVAKYMQLCQYLNTCTLAVPANMRVIHFGAGCEKGVAPGTS
VLRQWLPLDAVLIDNDLNEFVSDADITIFGDCVTVHVGQQVDLLISDMYDPCTKAVGEVN
QTKALFFVYLCNFIKNNLALGGSVAIKITEHSWSADLYKIMGRFAYWTVFCTNANASSSE
GFLIGINFLGELKEEIDGNVMHANYIFWRNSTPMNLSTYSLFDLSRFPLKLKGTPVLQLK
ESQINELVISLLSQGKLLIRDNDTLNVSTDVLVNFRKRL
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| BDBM420981 |
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| n/a |
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| Name | BDBM420981 |
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| Synonyms: | US9975885, Compound 64 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H32N6O5S |
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| Mol. Mass. | 588.677 |
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| SMILES | CC(C)(C)OC(=O)CNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 |
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| Structure | 
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