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TargetReplicase polyprotein 1ab
LigandBDBM420298
Substrate/Competitorn/a
Meas. Tech.FRET protease activity assay
Ki 0.51±0.12 nM
Citation Boras, BJones, RMAnson, BJArenson, DAschenbrenner, LBakowski, MABeutler, NBinder, JChen, EEng, HHammond, JHoffman, RKadar, EPKania, RKimoto, EKirkpatrick, MGLanyon, LLendy, EKLillis, JRLuthra, SAMa, CNoell, SObach, RSO Brien, MNO Connor, ROgilvie, KOwen, DPettersson, MReese, MRRogers, TRossulek, MISathish, JGSteppan, CTicehurst, MUpdyke, LWZhu, YWang, JChatterjee, AKMesecar, ADAnderson, ASAllerton, C Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19. bioRxiv0:0 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Replicase polyprotein 1ab
Name:Replicase polyprotein 1ab
Synonyms:ORF1ab polyprotein | pp1ab
Type:Protein
Mol. Mass.:797943.10
Organism:HCoV-OC43
Description:P0C6X6
Residue:7095
Sequence:
MSKINKYGLELHWAPEFPWMFEDAEEKLDNPSSSEVDMICSTTAQKLETDGICPENHVMV
DCRRLLKQECCVQSSLIREIVMNASPYHLEVLLQDALQSREAVLVTTPLGMSLEACYVRG
CNPKGWTMGLFRRRSVCNTGRCTVNKHVAYQLYMIDPAGVCLGAGQFVGWVIPLAFMPVQ
SRKFIVPWVMYLRKRGEKGAYNKDHGCGGFGHVYDFKVEDAYDQVHDEPKGKFSKKAYAL
IRGYRGVKPLLYVDQYGCDYTGSLADGLEAYADKTLQEMKALFPTWSQELPFDVIVAWHV
VRDPRYVMRLQSAATICSVAYVANPTEDLCDGSVVIKEPVHVYADDSIILRQYNLFDIMS
HFYMEADTVVNAFYGVALKDCGFVMQFGYIDCEQDSCDFKGWIPGNMIDGFACTTCGHVY
EVGDLIAQSSGVLPVNPVLHTKSAAGYGGFGCKDSFTLYGQTVVYFGGCVYWSPARNIWI
PILKSSVKSYDSLVYTGVLGCKAIVKETNLICKALYLDYVQHKCGNLHQRELLGVSDVWH
KQLLINRGVYKPLLENIDYFNMRRAKFSLETFTVCADGFMPFLLDDLVPRAYYLAVSGQA
FCDYADKLCHAVVSKSKELLDVSLDSLGAAIHYLNSKIVDLAQHFSDFGTSFVSKIVHFF
KTFTTSTALAFAWVLFHVLHGAYIVVESDIYFVKNIPRYASAVAQAFQSVAKVVLDSLRV
TFIDGLSCFKIGRRRICLSGRKIYEVERGLLHSSQLPLDVYDLTMPSQVQKAKQKPIYLK
GSGSDFSLADSVVEVVTTSLTPCGYSEPPKVADKICIVDNVYMAKAGDKYYPVVVDDHVG
LLDQAWRVPCAGRRVTFKEQPTVKEIISMPKIIKVFYELDNDFNTILNTACGVFEVDDTV
DMEEFYAVVIDAIEEKLSPCKELEGVGAKVSAFLQKLEDNPLFLFDEAGEEVFAPKLYCA
FTAPEDDDFLEESDVEEDDVEGEETDLTITSAGQPCVASEQEESSEVLEDTLDDGPSVET
SDSQVEEDVEMSDFVDLESVIQDYENVCFEFYTTEPEFVKVLGLYVPKATRNNCWLRSVL
AVMQKLPCQFKDKNLQDLWVLYKQQYSQLFVDTLVNKIPANIVLPQGGYVADFAYWFLTL
CDWQCVAYWKCIKCDLALKLKGLDAMFFYGDVVSHICKCGESMVLIDVDVPFTAHFALKD
KLFCAFITKRIVYKAACVVDVNDSHSMAVVDGKQIDDHRITSITSDKFDFIIGHGMSFSM
TTFEIAQLYGSCITPNVCFVKGDIIKVSKLVKAEVVVNPANGHMVHGGGVAKAIAVAAGQ
QFVKETTNMVKSKGVCATGDCYVSTGGKLCKTVLNVVGPDARTQGKQSYVLLERVYKHFN
NYDCVVTTLISAGIFSVPSDVSLTYLLGTAKKQVVLVSNNQEDFDLISKCQITAVEGTKK
LAARLSFNVGRSIVYETDANKLILINDVAFVSTFNVLQDVLSLRHDIALDDDARTFVQSN
VDVLPEGWRVVNKFYQINGVRTVKYFECTGGIDICSQDKVFGYVQQGIFNKATVAQIKAL
FLDKVDILLTVDGVNFTNRFVPVGESFGKSLGNVFCDGVNVTKHKCDINYKGKVFFQFDN
LSSEDLKAVRSSFNFDQKELLAYYNMLVNCFKWQVVVNGKYFTFKQANNNCFVNVSCLML
QSLHLTFKIVQWQEAWLEFRSGRPARFVALVLAKGGFKFGDPADSRDFLRVVFSQVDLTG
AICDFEIACKCGVKQEQRTGLDAVMHFGTLSREDLEIGYTVDCSCGKKLIHCVRFDVPFL
ICSNTPASVKLPKGVGSANIFIGDNVGHYVHVKCEQSYQLYDASNVKKVTDVTGKLSDCL
YLKNLKQTFKSVLTTYYLDDVKKIEYKPDLSQYYCDGGKYYTQRIIKAQFKTFEKVDGVY
TNFKLIGHTVCDSLNSKLGFDSSKEFVEYKITEWPTATGDVVLANDDLYVKRYERGCITF
GKPVIWLSHEKASLNSLTYFNRPLLVDDNKFDVLKVDDVDDSGDSSESGAKETKEINIIK
LSGVKKPFKVEDSVIVNDDTSETKYVKSLSIVDVYDMWLTGCKYVVRTANALSRAVNVPT
IRKFIKFGMTLVSIPIDLLNLREIKPAVNVVKAVRNKTSACFNFIKWLFVLLFGWIKISA
DNKVIYTTEIASKLTCKLVALAFKNAFLTFKWSMVARGACIIATIFLLWFNFIYANVIFS
DFYLPKIGFLPTFVGKIAQWIKNTFSLVTICDLYSIQDVGFKNQYCNGSIACQFCLAGFD
MLDNYKAIDVVQYEADRRAFVDYTGVLKIVIELIVSYALYTAWFYPLFALISIQILTTWL
PELFMLSTLHWSFRLLVALANMLPAHVFMRFYIIIASFIKLFSLFKHVAYGCSKSGCLFC
YKRNRSLRVKCSTIVGGMIRYYDVMANGGTGFCSKHQWNCIDCDSYKPGNTFITVEAALD
LSKELKRPIQPTDVAYHTVTDVKQVGCSMRLFYDRDGQRIYDDVNASLFVDYSNLLHSKV
KSVPNMHVVVVENDADKANFLNAAVFYAQSLFRPILMVDKNLITTANTGTSVTETMFDVY
VDTFLSMFDVDKKSLNALIATAHSSIKQGTQIYKVLDTFLSCARKSCSIDSDVDTKCLAD
SVMSAVSAGLELTDESCNNLVPTYLKSDNIVAADLGVLIQNSAKHVQGNVAKIAGVSCIW
SVDAFNQFSSDFQHKLKKACCKTGLKLKLTYNKQMANVSVLTTPFSLKGGAVFSYFVYVC
FVLSLVCFIGLWCLMPTYTVHKSDFQLPVYASYKVLDNGVIRDVSVEDVCFANKFEQFDQ
WYESTFGLSYYSNSMACPIVVAVIDQDFGSTVFNVPTKVLRYGYHVLHFITHALSADGVQ
CYTPHSQISYSNFYASGCVLSSACTMFTMADGSPQPYCYTDGLMQNASLYSSLVPHVRYN
LANAKGFIRFPEVLREGLVRVVRTRSMSYCRVGLCEEADEGICFNFNGSWVLNNDYYRSL
PGTFCGRDVFDLIYQLFKGLAQPVDFLALTASSIAGAILAVIVVLVFYYLIKLKRAFGDY
TSVVFVNVIVWCVNFMMLFVFQVYPTLSCVYAICYFYATLYFPSEISVIMHLQWLVMYGT
IMPLWFCLLYIAVVVSNHAFWVFSYCRKLGTSVRSDGTFEEMALTTFMITKDSYCKLKNS
LSDVAFNRYLSLYNKYRYYSGKMDTAAYREAACSQLAKAMDTFTNNNGSDVLYQPPTASV
STSFLQSGIVKMVNPTSKVEPCVVSVTYGNMTLNGLWLDDKVYCPRHVICSASDMTNPDY
TNLLCRVTSSDFTVLFDRLSLTVMSYQMRGCMLVLTVTLQNSRTPKYTFGVVKPGETFTV
LAAYNGKPQGAFHVTMRSSYTIKGSFLCGSCGSVGYVIMGDCVKFVYMHQLELSTGCHTG
TDFNGDFYGPYKDAQVVQLPIQDYIQSVNFLAWLYAAILNNCNWFIQSDKCSVEDFNVWA
LSNGFSQVKSDLVIDALASMTGVSLETLLAAIKRLKNGFQGRQIMGSCSFEDELTPSDVY
QQLAGIKLQSKRTRLFKGTVCWIMASTFLFSCIITAFVKWTMFMYVTTNMFSITFCALCV
ISLAMLLVKHKHLYLTMYITPVLFTLLYNNYLVVYKHTFRGYVYAWLSYYVPSVEYTYTD
EVIYGMLLLVGMVFVTLRSINHDLFSFIMFVGRLISVFSLWYKGSNLEEEILLMLASLFG
TYTWTTVLSMAVAKVIAKWVAVNVLYFTDIPQIKIVLLCYLFIGYIISCYWGLFSLMNSL
FRMPLGVYNYKISVQELRYMNANGLRPPKNSFEALMLNFKLLGIGGVPIIEVSQFQSKLT
DVKCANVVLLNCLQHLHVASNSKLWHYCSTLHNEILATSDLSVAFEKLAQLLIVLFANPA
AVDSKCLTSIEEVCDDYAKDNTVLQALQSEFVNMASFVEYEVAKKNLDEARFSGSANQQQ
LKQLEKACNIAKSAYERDRAVAKKLERMADLALTNMYKEARINDKKSKVVSALQTMLFSM
VRKLDNQALNSILDNAVKGCVPLNAIPSLAANTLNIIVPDKSVYDQIVDNIYVTYAGNVW
QIQTIQDSDGTNKQLNEISDDCNWPLVIIANRYNEVSATVLQNNELMPAKLKIQVVNSGP
DQTCNTPTQCYYNNSNNGKIVYAILSDVDGLKYTKILKDDGNFVVLELDPPCKFTVQDAK
GLKIKYLYFVKGCNTLARGWVVGTISSTVRLQAGTATEYASNSSILSLCAFSVDPKKTYL
DFIQQGGTPIANCVKMLCDHAGTGMAITVKPDATTSQDSYGGASVCIYCRARVEHPDVDG
LCKLRGKFVQVPVGIKDPVSYVLTHDVCRVCGFWRDGSCSCVSTDTTVQSKDTNFLNRVR
GASVDARLVPCASGLSTDVQLRAFDIYNASVAGIGLHLKVNCCRFQRVDENGDKLDQFFV
VKRTDLTIYNREMKCYERVKDCKFVAEHDFFTFDVEGSRVPHIVRKDLTKYTMLDLCYAL
RHFDRNDCMLLCDILSIYAGCEQSYFTKKDWYDFVENPDIINVYKKLGPIFNRALVSATE
FADKLVEVGLVGVLTLDNQDLNGKWYDFGDYVIAAPGCGVAIADSYYSYIMPMLTMCHAL
DCELYVNNAYRLFDLVQYDFTDYKLELFNKYFKHWSMPYHPNTVDCQDDRCIIHCANFNI
LFSMVLPNTCFGPLVRQIFVDGVPFVVSIGYHYKELGIVMNMDVDTHRYRLSLKDLLLYA
ADPALHVASASALYDLRTCCFSVAAITSGVKFQTVKPGNFNQDFYDFVLSKGLLKEGSSV
DLKHFFFTQDGNAAITDYNYYKYNLPTMVDIKQLLFVLEVVYKYFEIYDGGCIPASQVIV
NNYDKSAGYPFNKFGKARLYYEALSFEEQDEIYAYTKRNVLPTLTQMNLKYAISAKNRAR
TVAGVSILSTMTGRMFHQKCLKSIAATRGVPVVIGTTKFYGGWDDMLRRLIKDVDNPVLM
GWDYPKCDRAMPNILRIVSSLVLARKHETCCSQSDRFYRLANECAQVLSEIVMCGGCYYV
KPGGTSSGDATTAFANSVFNICQAVSANVCALMSCNGNKIEDLSIRALQKRLYSHVYRSD
KVDSTFVTEYYEFLNKHFSMMILSDDGVVCYNSDYASKGYIANISAFQQVLYYQNNVFMS
ESKCWVEHDINNGPHEFCSQHTMLVKMDGDDVYLPYPNPSRILGAGCFVDDLLKTDSVLL
IERFVSLAIDAYPLVYHENEEYQKVFRVYLAYIKKLYNDLGNQILDSYSVILSTCDGQKF
TDESFYKNMYLRSAVMQSVGACVVCSSQTSLRCGSCIRKPLLCCKCCYDHVMATDHKYVL
SVSPYVCNAPGCDVNDVTKLYLGGMSYYCEDHKPQYSFKLVMNGLVFGLYKQSCTGSPYI
DDFNRIASCKWTDVDDYILANECTERLKLFAAETQKATEEAFKQSYASATIQEIVSEREL
ILSWEIGKVKPPLNKNYVFTGYHFTKNGKTVLGEYVFDKSELTNGVYYRATTTYKLSVGD
VFVLTSHSVANLSAPTLVPQENYSSIRFASVYSVLETFQNNVVNYQHIGMKRYCTVQGPP
GTGKSHLAIGLAVFYCTARVVYTAASHAAVDALCEKAYKFLNINDCTRIVPAKVRVECYD
KFKINDTTRKYVFTTINALPEMVTDIVVVDEVSMLTNYELSVINARIRAKHYVYIGDPAQ
LPAPRVLLSKGTLEPKYFNTVTKLMCCLGPDIFLGTCYRCPKEIVDTVSALVYENKLKAK
NESSLLCFKVYYKGVTTHESSSAVNMQQIYLINKFLKANPLWHKAVFISPYNSQNFAAKR
VLGLQTQTVDSAQGSEYDYVIYSQTAETAHSVNVNRFNVAITRAKKGILCVMSNMQLFEA
LQFTTLTLDKVPQAVETKVQCSTNLFKDCSKSYSGYHPAHAPSFLAVDDKYKATGDLAVC
LGIGDSAVTYSRLISLMGFKLDVTLDGYCKLFITKEEAVKRVRAWVGFDAEGAHATLDSI
GTNFPLQLGFSTGIDFVVEATGLFADRDGYSFKKAVAKAPPGEQFKHLIPLMTRGHRWDV
VRPRIVQMFADHLIDLSDCVVLVTWAANFELTCLRYFAKVGREISCNVCTKRATVYNSRT
GYYGCWRHSVTCDYLYNPLIVDIQQWGYIGSLSSNHDLYCSVHKGAHVASSDAIMTRCLA
VYDCFCNNINWNVEYPIISNELSINTSCRVLQRVILKAAMLCNRYTLCYDIGNPKGIACV
KDFDFKFYDAQPIVKSVKTLLYSFEAHKDSFKDGLCMFWNCNVDKYPPNAVVCRFDTRVL
NNLNLPGCNGGSLYVNKHAFHTKPFARAAFEHLKPMPFFYYSDTPCVYMDGMDAKQVDYV
PLKSATCITRCNLGGAVCLKHAEEYREYLESYNTATTAGFTFWVYKTFDFYNLWNTFTKL
QSLENVVYNLVKTGHYTGQAGEMPCAIINDKVVTKIDKEDVVIFINNTTYPTNVAVELFA
KRSVRHHPELKLFRNLNIDVCWKHVIWDYARESIFCSNTYGVCMYTDLKFIDKLNVLFDG
RDNGAFEAFKRSNNGVYISTTKVKSLSMIRGPPRAELNGVVVDKVGDTDCVFYFAVRKEG
QDVIFSQFDSLGVSSNQSPQGNLGSNGKPGNVGGNDALSISTIFTQSRVISSFTCRTDME
KDFIALDQDVFIQKYGLEDYAFEHIVYGNFNQKIIGGLHLLIGLYRRQQTSNLVVQEFVS
YDSSIHSYFITDEKSGGSKSVCTVIDILLDDFVTLVKSLNLNCVSKVVNVNVDFKDFQFM
LWCNDEKVMTFYPRLQAASDWKPGYSMPVLYKYLNSPMERVSLWNYGKPVTLPTGCMMNV
AKYTQLCQYLNTTTLAVPVNMRVLHLGAGSEKGVAPGSAVLRQWLPAGTILVDNDLYPFV
SDSVATYFGDCITLPFDCQWDLIISDMYDPITKNIGEYNVSKDGFFTYICHMIRDKLALG
GSVAIKITEFSWNAELYKLMGYFAFWTVFCTNANASSSEGFLIGINYLCKPKVEIDGNVM
HANYLFWRNSTVWNGGAYSLFDMAKFPLKLAGTAVINLRADQINDMVYSLLEKGKLLIRD
TNKEVFVGDSLVNVI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM420298
NameBDBM420298
Synonyms:PF-00835231 | PF-0835231 | WO2005113580-Ex-02
TypeSmall organic molecule
Emp. Form.C24H32N4O6
Mol. Mass.472.5341
SMILESCOc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Structure
n/a