| Reaction Details |
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 | Report a problem with these data |
| Target | Replicase polyprotein 1ab |
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| Ligand | BDBM420298 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | SARS-CoV-2 Coronavirus 3C Protease FRET Assay |
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| Ki | 1.20±0.90 nM |
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| Citation |  BEZAWADA, P; HAWKING, EL; Hoffman, RL; Jaini, R; Kania, RS; Kulkarni, S; Lillis, JR; Luthra, S; LARAMY, MN; Owen, DR; Pencheva, KD; Pettersson, MY; RANE, AM; Sammons, MF; Sullivan, BP; THIEL, AJ; TICEHURST, MD; Tuttle, JB Compounds and methods for the treatment of covid-19 WIPOWO2021205298 Publication Date 10/14/2021 |
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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 | pp1ab |
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| Type: | Protein |
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| Mol. Mass.: | 802616.66 |
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| Organism: | MHV-A59 |
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| Description: | P0C6X9 |
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| Residue: | 7176 |
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| Sequence: | MAKMGKYGLGFKWAPEFPWMLPNASEKLGNPERSEEDGFCPSAAQEPKVKGKTLVNHVRV
NCSRLPALECCVQSAIIRDIFVDEDPQKVEASTMMALQFGSAVLVKPSKRLSIQAWTNLG
VLPKTAAMGLFKRVCLCNTRECSCDAHVAFHLFTVQPDGVCLGNGRFIGWFVPVTAIPEY
AKQWLQPWSILLRKGGNKGSVTSGHFRRAVTMPVYDFNVEDACEEVHLNPKGKYSCKAYA
LLKGYRGVKPILFVDQYGCDYTGCLAKGLEDYGDLTLSEMKELFPVWRDSLDSEVLVAWH
VDRDPRAAMRLQTLATVRCIDYVGQPTEDVVDGDVVVREPAHLLAANAIVKRLPRLVETM
LYTDSSVTEFCYKTKLCECGFITQFGYVDCCGDTCDFRGWVAGNMMDGFPCPGCTKNYMP
WELEAQSSGVIPEGGVLFTQSTDTVNRESFKLYGHAVVPFGSAVYWSPCPGMWLPVIWSS
VKSYSGLTYTGVVGCKAIVQETDAICRSLYMDYVQHKCGNLEQRAILGLDDVYHRQLLVN
RGDYSLLLENVDLFVKRRAEFACKFATCGDGLVPLLLDGLVPRSYYLIKSGQAFTSMMVN
FSHEVTDMCMDMALLFMHDVKVATKYVKKVTGKLAVRFKALGVAVVRKITEWFDLAVDIA
ASAAGWLCYQLVNGLFAVANGVITFVQEVPELVKNFVDKFKAFFKVLIDSMSVSILSGLT
VVKTASNRVCLAGSKVYEVVQKSLSAYVMPVGCSEATCLVGEIEPAVFEDDVVDVVKAPL
TYQGCCKPPTSFEKICIVDKLYMAKCGDQFYPVVVDNDTVGVLDQCWRFPCAGKKVEFND
KPKVRKIPSTRKIKITFALDATFDSVLSKACSEFEVDKDVTLDELLDVVLDAVESTLSPC
KEHDVIGTKVCALLDRLAGDYVYLFDEGGDEVIAPRMYCSFSAPDDEDCVAADVVDADEN
QDDDAEDSAVLVADTQEEDGVAKGQVEADSEICVAHTGSQEELAEPDAVGSQTPIASAEE
TEVGEASDREGIAEAKATVCADAVDACPDQVEAFEIEKVEDSILDELQTELNAPADKTYE
DVLAFDAVCSEALSAFYAVPSDETHFKVCGFYSPAIERTNCWLRSTLIVMQSLPLEFKDL
EMQKLWLSYKAGYDQCFVDKLVKSVPKSIILPQGGYVADFAYFFLSQCSFKAYANWRCLE
CDMELKLQGLDAMFFYGDVVSHMCKCGNSMTLLSADIPYTLHFGVRDDKFCAFYTPRKVF
RAACAVDVNDCHSMAVVEGKQIDGKVVTKFIGDKFDFMVGYGMTFSMSPFELAQLYGSCI
TPNVCFVKGDVIKVVRLVNAEVIVNPANGRMAHGAGVAGAIAEKAGSAFIKETSDMVKAQ
GVCQVGECYESAGGKLCKKVLNIVGPDARGHGKQCYSLLERAYQHINKCDNVVTTLISAG
IFSVPTDVSLTYLLGVVTKNVILVSNNQDDFDVIEKCQVTSVAGTKALSLQLAKNLCRDV
KFVTNACSSLFSESCFVSSYDVLQEVEALRHDIQLDDDARVFVQANMDCLPTDWRLVNKF
DSVDGVRTIKYFECPGGIFVSSQGKKFGYVQNGSFKEASVSQIRALLANKVDVLCTVDGV
NFRSCCVAEGEVFGKTLGSVFCDGINVTKVRCSAIYKGKVFFQYSDLSEADLVAVKDAFG
FDEPQLLKYYTMLGMCKWPVVVCGNYFAFKQSNNNCYINVACLMLQHLSLKFPKWQWQEA
WNEFRSGKPLRFVSLVLAKGSFKFNEPSDSIDFMRVVLREADLSGATCNLEFVCKCGVKQ
EQRKGVDAVMHFGTLDKGDLVRGYNIACTCGSKLVHCTQFNVPFLICSNTPEGRKLPDDV
VAANIFTGGSVGHYTHVKCKPKYQLYDACNVNKVSEAKGNFTDCLYLKNLKQTFSSVLTT
FYLDDVKCVEYKPDLSQYYCESGKYYTKPIIKAQFRTFEKVDGVYTNFKLVGHSIAEKLN
AKLGFDCNSPFVEYKITEWPTATGDVVLASDDLYVSRYSSGCITFGKPVVWLGHEEASLK
SLTYFNRPSVVCENKFNVLPVDVSEPTDKGPVPAAVLVTGVPGADASAGAGIAKEQKACA
SASVEDQVVTEVRQEPSVSAADVKEVKLNGVKKPVKVEGSVVVNDPTSETKVVKSLSIVD
VYDMFLTGCKYVVWTANELSRLVNSPTVREYVKWGMGKIVTPAKLLLLRDEKQEFVAPKV
VKAKAIACYCAVKWFLLYCFSWIKFNTDNKVIYTTEVASKLTFKLCCLAFKNALQTFNWS
VVSRGFFLVATVFLLWFNFLYANVILSDFYLPNIGPLPTFVGQIVAWFKTTFGVSTICDF
YQVTDLGYRSSFCNGSMVCELCFSGFDMLDNYDAINVVQHVVDRRLSFDYISLFKLVVEL
VIGYSLYTVCFYPLFVLIGMQLLTTWLPEFFMLETMHWSARLFVFVANMLPAFTLLRFYI
VVTAMYKVYCLCRHVMYGCSKPGCLFCYKRNRSVRVKCSTVVGGSLRYYDVMANGGTGFC
TKHQWNCLNCNSWKPGNTFITHEAAADLSKELKRPVNPTDSAYYSVTEVKQVGCSMRLFY
ERDGQRVYDDVNASLFVDMNGLLHSKVKGVPETHVVVVENEADKAGFLGAAVFYAQSLYR
PMLMVEKKLITTANTGLSVSRTMFDLYVDSLLNVLDVDRKSLTSFVNAAHNSLKEGVQLE
QVMDTFIGCARRKCAIDSDVETKSITKSVMSAVNAGVDFTDESCNNLVPTYVKSDTIVAA
DLGVLIQNNAKHVQANVAKAANVACIWSVDAFNQLSADLQHRLRKACSKTGLKIKLTYNK
QEANVPILTTPFSLKGGAVFSRMLQWLFVANLICFIVLWALMPTYAVHKSDMQLPLYASF
KVIDNGVLRDVSVTDACFANKFNQFDQWYESTFGLAYYRNSKACPVVVAVIDQDIGHTLF
NVPTTVLRYGFHVLHFITHAFATDSVQCYTPHMQIPYDNFYASGCVLSSLCTMLAHADGT
PHPYCYTGGVMHNASLYSSLAPHVRYNLASSNGYIRFPEVVSEGIVRVVRTRSMTYCRVG
LCEEAEEGICFNFNRSWVLNNPYYRAMPGTFCGRNAFDLIHQVLGGLVRPIDFFALTASS
VAGAILAIIVVLAFYYLIKLKRAFGDYTSVVVINVIVWCINFLMLFVFQVYPTLSCLYAC
FYFYTTLYFPSEISVVMHLQWLVMYGAIMPLWFCIIYVAVVVSNHALWLFSYCRKIGTEV
RSDGTFEEMALTTFMITKESYCKLKNSVSDVAFNRYLSLYNKYRYFSGKMDTAAYREAAC
SQLAKAMETFNHNNGNDVLYQPPTASVTTSFLQSGIVKMVSPTSKVEPCIVSVTYGNMTL
NGLWLDDKVYCPRHVICSSADMTDPDYPNLLCRVTSSDFCVMSGRMSLTVMSYQMQGCQL
VLTVTLQNPNTPKYSFGVVKPGETFTVLAAYNGRPQGAFHVTLRSSHTIKGSFLCGSCGS
VGYVLTGDSVRFVYMHQLELSTGCHTGTDFSGNFYGPYRDAQVVQLPVQDYTQTVNVVAW
LYAAIFNRCNWFVQSDSCSLEEFNVWAMTNGFSSIKADLVLDALASMTGVTVEQVLAAIK
RLHSGFQGKQILGSCVLEDETPSDVYQQLAGVKLQSKRTRVIKGTCCWILASTFLFCSII
SAFVKWTMFMYVTTHMLGVTLCALCFVSFAMLLIKHKHLYLTMYIMPVLCTFYTNYLVVY
KQSFRGLAYAWLSHFVPAVDYTYMDEVLYGVVLLVAMVFVTMRSINHDVFSIMFLVGRLV
SLVSMWYFGANLEEEVLLFLTSLFGTYTWTTMLSLATAKVIAKWLAVNVLYFTDVPQIKL
VLLSYLCIGYVCCCYWGILSLLNSIFRMPLGVYNYKISVQELRYMNANGLRPPRNSFEAL
MLNFKLLGIGGVPVIEVSQIQSRLTDVKCANVVLLNCLQHLHIASNSKLWQYCSTLHNEI
LATSDLSMAFDKLAQLLVVLFANPAAVDSKCLASIEEVSDDYVRDNTVLQALQSEFVNMA
SFVEYELAKKNLDEAKASGSANQQQIKQLEKACNIAKSAYERDRAVARKLERMADLALTN
MYKEARINDKKSKVVSALQTMLFSMVRKLDNQALNSILDNAVKGCVPLNAIPSLTSNTLT
IIVPDKQVFDQVVDNVYVTYAGNVWHIQFIQDADGAVKQLNEIDVNSTWPLVIAANRHNE
VSTVVLQNNELMPQKLRTQVVNSGSDMNCNTPTQCYYNTTGTGKIVYAILSDCDGLKYTK
IVKEDGNCVVLELDPPCKFSVQDVKGLKIKYLYFVKGCNTLARGWVVGTLSSTVRLQAGT
ATEYASNSAILSLCAFSVDPKKTYLDYIKQGGVPVTNCVKMLCDHAGTGMAITIKPEATT
NQDSYGGASVCIYCRSRVEHPDVDGLCKLRGKFVQVPLGIKDPVSYVLTHDVCQVCGFWR
DGSCSCVGTGSQFQSKDTNFLNRIRGTSVNARLVPCASGLDTDVQLRAFDICNANRAGIG
LYYKVNCCRFQRVDEDGNKLDKFFVVKRTNLEVYNKEKECYELTKECGVVAEHEFFTFDV
EGSRVPHIVRKDLSKFTMLDLCYALRHFDRNDCSTLKEILLTYAECEESYFQKKDWYDFV
ENPDIINVYKKLGPIFNRALLNTAKFADALVEAGLVGVLTLDNQDLYGQWYDFGDFVKTV
PGCGVAVADSYYSYMMPMLTMCHALDSELFVNGTYREFDLVQYDFTDFKLELFTKYFKHW
SMTYHPNTCECEDDRCIIHCANFNILFSMVLPKTCFGPLVRQIFVDGVPFVVSIGYHYKE
LGVVMNMDVDTHRYRLSLKDLLLYAADPALHVASASALLDLRTCCFSVAAITSGVKFQTV
KPGNFNQDFYEFILSKGLLKEGSSVDLKHFFFTQDGNAAITDYNYYKYNLPTMVDIKQLL
FVLEVVNKYFEIYEGGCIPATQVIVNNYDKSAGYPFNKFGKARLYYEALSFEEQDEIYAY
TKRNVLPTLTQMNLKYAISAKNRARTVAGVSILSTMTGRMFHQKCLKSIAATRGVPVVIG
TTKFYGGWDDMLRRLIKDVDSPVLMGWDYPKCDRAMPNILRIVSSLVLARKHDSCCSHTD
RFYRLANECAQVLSEIVMCGGCYYVKPGGTSSGDATTAFANSVFNICQAVSANVCSLMAC
NGHKIEDLSIRELQKRLYSNVYRADHVDPAFVSEYYEFLNKHFSMMILSDDGVVCYNSEF
ASKGYIANISAFQQVLYYQNNVFMSEAKCWVETDIEKGPHEFCSQHTMLVKMDGDEVYLP
YPDPSRILGAGCFVDDLLKTDSVLLIERFVSLAIDAYPLVYHENPEYQNVFRVYLEYIKK
LYNDLGNQILDSYSVILSTCDGQKFTDETFYKNMYLRSAVLQSVGACVVCSSQTSLRCGS
CIRKPLLCCKCAYDHVMSTDHKYVLSVSPYVCNSPGCDVNDVTKLYLGGMSYYCEDHKPQ
YSFKLVMNGMVFGLYKQSCTGSPYIEDFNKIASCKWTEVDDYVLANECTERLKLFAAETQ
KATEEAFKQCYASATIREIVSDRELILSWEIGKVRPPLNKNYVFTGYHFTNNGKTVLGEY
VFDKSELTNGVYYRATTTYKLSVGDVFILTSHAVSSLSAPTLVPQENYTSIRFASVYSVP
ETFQNNVPNYQHIGMKRYCTVQGPPGTGKSHLAIGLAVYYCTARVVYTAASHAAVDALCE
KAHKFLNINDCTRIVPAKVRVDCYDKFKVNDTTRKYVFTTINALPELVTDIIVVDEVSML
TNYELSVINSRVRAKHYVYIGDPAQLPAPRVLLNKGTLEPRYFNSVTKLMCCLGPDIFLG
TCYRCPKEIVDTVSALVYNNKLKAKNDNSSMCFKVYYKGQTTHESSSAVNMQQIHLISKF
LKANPSWSNAVFISPYNSQNYVAKRVLGLQTQTVDSAQGSEYDFVIYSQTAETAHSVNVN
RFNVAITRAKKGILCVMSSMQLFESLNFTTLTLDKINNPRLQCTTNLFKDCSRSYVGYHP
AHAPSFLAVDDKYKVGGDLAVCLNVADSAVTYSRLISLMGFKLDLTLDGYCKLFITRDEA
IKRVRAWVGFDAEGAHAIRDSIGTNFPLQLGFSTGIDFVVEATGMFAERDGYVFKKAAAR
APPGEQFKHLIPLMSRGQKWDVVRIRIVQMLSDHLVDLADSVVLVTWAASFELTCLRYFA
KVGREVVCSVCTKRATCFNSRTGYYGCWRHSYSCDYLYNPLIVDIQQWGYTGSLTSNHDP
ICSVHKGAHVASSDAIMTRCLAVHDCFCKSVNWNLEYPIISNEVSVNTSCRLLQRVMFRA
AMLCNRYDVCYDIGNPKGLACVKGYDFKFYDASPVVKSVKQFVYKYEAHKDQFLDGLCMF
WNCNVDKYPANAVVCRFDTRVLNKLNLPGCNGGSLYVNKHAFHTSPFTRAAFENLKPMPF
FYYSDTPCVYMEGMESKQVDYVPLRSATCITRCNLGGAVCLKHAEEYREYLESYNTATTA
GFTFWVYKTFDFYNLWNTFTRLQSLENVVYNLVNAGHFDGRAGELPCAVIGEKVIAKIQN
EDVVVFKNNTPFPTNVAVELFAKRSIRPHPELKLFRNLNIDVCWSHVLWDYAKDSVFCSS
TYKVCKYTDLQCIESLNVLFDGRDNGALEAFKKCRNGVYINTTKIKSLSMIKGPQRADLN
GVVVEKVGDSDVEFWFAVRKDGDDVIFSRTGSLEPSHYRSPQGNPGGNRVGDLSGNEALA
RGTIFTQSRLLSSFTPRSEMEKDFMDLDDDVFIAKYSLQDYAFEHVVYGSFNQKIIGGLH
LLIGLARRQQKSNLVIQEFVTYDSSIHSYFITDENSGSSKSVCTVIDLLLDDFVDIVKSL
NLKCVSKVVNVNVDFKDFQFMLWCNEEKVMTFYPRLQAAADWKPGYVMPVLYKYLESPLE
RVNLWNYGKPITLPTGCMMNVAKYTQLCQYLSTTTLAVPANMRVLHLGAGSDKGVAPGSA
VLRQWLPAGSILVDNDVNPFVSDSVASYYGNCITLPFDCQWDLIISDMYDPLTKNIGEYN
VSKDGFFTYLCHLIRDKLALGGSVAIKITEFSWNAELYSLMGKFAFWTIFCTNVNASSSE
GFLIGINWLNKTRTEIDGKTMHANYLFWRNSTMWNGGAYSLFDMSKFPLKAAGTAVVSLK
PDQINDLVLSLIEKGKLLVRDTRKEVFVGDSLVNVK
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| BDBM420298 |
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| Name | BDBM420298 |
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| Synonyms: | PF-00835231 | PF-0835231 | WO2005113580-Ex-02 | WO2021205298, Compound 1 | cmdc.202100576, 6b |
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| Type | Small organic molecule |
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| Emp. Form. | C24H32N4O6 |
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| Mol. Mass. | 472.5341 |
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| SMILES | COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO |
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| Structure |  |
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| n/a |
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