| Reaction Details |
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 | Report a problem with these data |
| Target | Replicase polyprotein 1ab |
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| Ligand | BDBM420972 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | IC50 Determination |
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| IC50 | 16300±2100 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_CVHOC | pp1ab | rep |
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| Type: | Protein |
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| Mol. Mass.: | 797943.10 |
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| Organism: | HCoV-OC43 |
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| Description: | P0C6X6 |
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| Residue: | 7095 |
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| 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
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| BDBM420972 |
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| n/a |
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| Name | BDBM420972 |
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| Synonyms: | US9975885, Compound 27 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H31N5O3S |
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| Mol. Mass. | 529.653 |
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| SMILES | CC(C)(C)NC(=O)C(N(C(=O)Cn1cnc2ccccc12)c1ccc(NC(=O)C2CC2)cc1)c1ccsc1 |
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| Structure | 
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