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Target
Replicase polyprotein 1ab
Ligand
BDBM420979
Substrate
n/a
Meas. Tech.
IC50 Determination
IC50
27500±3800 nM
Citation
 St. John, SE; Mesecar, AD Broad-spectrum non-covalent coronavirus protease inhibitors US Patent  US9975885 Publication Date 5/22/2018 
Target
Name:
Replicase polyprotein 1ab
Synonyms:
3C-like proteinase | 3CL-PRO | 3CLp | ExoN | Exoribonuclease | Hel | Helicase | M-PRO | NendoU | Non-structural protein 1 | Non-structural protein 10 | Non-structural protein 11 | Non-structural protein 2 | Non-structural protein 3 | Non-structural protein 4 | Non-structural protein 6 | Non-structural protein 7 | Non-structural protein 8 | Non-structural protein 9 | PL1-PRO/PL2-PRO | PLP1/PLP2 | Papain-like proteinases 1/2 | Peptide HD2 | Pol | Putative 2'-O-methyl transferase | R1AB_FIPV | RNA-directed RNA polymerase | RdRp | Uridylate-specific endoribonuclease | nsp1 | nsp10 | nsp11 | nsp12 | nsp13 | nsp14 | nsp15 | nsp16 | nsp2 | nsp3 | nsp4 | nsp5 | nsp6 | nsp7 | nsp8 | nsp9 | p195 | rep
Type:
PROTEIN
Mol. Mass.:
751194.38
Organism:
Feline coronavirus (strain FIPV WSU-79/1146) (FCoV)
Description:
ChEMBL_117869
Residue:
6709
Sequence:
MSSKQFKILVNEDYQVNVPSLPFRDALQEIKYCYRNGFDGYVFVPEYRRDLVDCNRKDHYVIGVLGNGISDLKPVLLTEPSVMLQGFIVRANCNGVLEDFDLKFARTGNGAIYVDQYMCGADGKPVIEGEFKDYFGDEDVIIYEGEEYHCAWLTVRDEKPLWQQTLLTIREIQYNLDIPHKLPNCAIREVAPPVKKNSKVVLSEEYRKLYDIFGSPFMGNGDSLNTCFDSLHFIAATLKCPCGAESSGVGDWTGFKTACCGLHGKVKGVTLGAVKPGDAIVTSMSAGKGVKFFANSVLQYAGDVENVSVWKVIKTFTVNETVCTTDFEGELNDFIRPESTSPVSCSIKRAFITGEVDDAVHDCIIAGKLDLSTNLFGSANLLFKKMPWFVQKCGAIFADAWKVVEELLCSLKLTYKQIYDVVASLCTSAFTIMDYKPVFVVSSNSVKDLVDKCVKILVKAFDVFTQTITIAGVEAKCFVLGSKYLLFNNALVKLVSVKILGKRQKGLDSAFFATNLIGATVNVTPQRTESAYISLNKVDDVVTPGGGHIVIIGDMAFYKSEEYYFMMASPDSVLVNNVFKAARVPSYNIVYDVNDDTKSKMVVKIGTSFDFDGDLDAAIAKVNDLLIEFRQEKLCFRALKDGENILVEAYLKKYKMPVCLKNHVGLWDIIRQDSGKKGFLDTFNHLNELEDVKDIKIQTIKNIICPDLLLELDFGAIWYRCMPACSDKSILGNVKIMLGNGVKVVCDGCHSFANRLTINYNKLCDTARKDIEIGGIPFSTFKTPSSSFIDMKDAIYSVVEYGEALSFKTASVPVTNSGIITTDDWSDPILLEPADYVEPKDNGDVIVIAGYTFYKDEDDHFYPYGSGMVVQKMYNKMGGGDKSVSFSDNVNVREIEPVTRVRLEFEFDNEVVTQVLEKVIGTKYKFIGTTWEEFEDSISEKLDKIFDTLAEQGVELEGYFIYDTCGGFDINNPDGVMISQYDLNTAADDKSDSDASVEDISLISDNEDVEQIEEDNTSTDDAEDVSSVEGETVSVVDVEDFVEQVSLVEENNVLTPAVNPDEQLSSVEKKDEVSAKNDPWAAAVDEQEAEQPKPSLTPFKTTNLNGKIILKQQDNNCWINACCYQLQAFDFFNHDLWDGFKKDDVMPFVDFCYAALTLKQGDSGDAEYLLETMLNDYSTAKVTLSAKCGCGVKEIVLERTVFKLTPLRNEFKYGVCGDCKQINMCKFASVEGSGVFVHDRIEKQTPVSQFIVTPTMHAVYTGTTQSGHYMIEDCIHDYCVDGMGIKPRKHKFYTSTLFLNANVMTAKSKTMVEPPVPVEDKCVEDCQSPKDLILPFYKAGKVSFYQGDLDVLINFLEPDVLVNAANGDLRHVGGVARAIDVFTGGKLTKRSKEYLKSSKAIAPGNAVLFENVLEHLSVLNAVGPRNGDSRVEGKLCNVYKAIAKCDGKILTPLISVGIFKVKLEVSLQCLLKTVTDRDLNVFVYTDQERVTIENFFNGTIPIKVTEDTVNQKRVSVALDKTYGEQLKGTVVIKDKDVTNQLPSVSDVGEKVVKALDVDWNAYYGFPNAAAFSASSHDAYEFDVVTHNNFIVHKQTDNNCWVNAICLALQRLKPTWKFPGVKSLWDAFLTRKTAGFVHMLYHISGLTKGQPGDAELTLHKLVDLMSSDSAVTVTHTTACDKCAKVETFTGPVVAAPLLVCGTDEICVHGVHVNVKVTSIRGTVAITSLIGPVVGDVIDATGYICYTGLNSRGHYTYYDNRNGLMVDADKAYHFEKNLLQVTTAIASNFVANTPKKEIMPKTQAKESKAKESNTARVFSEVEENPKNIVRKEKLLAIESGVDYTITTLGKYADVFFMAGDKILRFLLEVFKYLLVVFMCLRKSKMPKVKVKPPHVFRNLGAKVRTLNYVRQLNKPALWRYIKLVLLLIALYHFFYLFVSIPVVHKLACSGSVQAYSNSSFVKSEVCGNSILCKACLASYDELADFDHLQVSWDYKSDPLWNRVIQLSYFIFLAVFGNNYVRCLLMYFVSQYLNLWLSYFGYVKYSWFLHVVNFESISVEFVIIVVVFKAVLALKHIFLPCNNPSCKTCSKIARQTRIPIQVVVNGSMKTVYVHANGTGKLCKKHNFYCKNCDSYGFDHTFICDEIVRDLSNSIKQTVYATDRSYQEVTKVECTDGFYRFYVGEEFTAYDYDVKHKKYSSQEVLKTMFLLDDFIVYNPSGSSLASVRNVCVYFSQLIGRPIKIVNSELLEDLSVDFKGALFNAKKNVIKNSFNVDVSECKNLEECYKLCNLDVTFSTFEMAINNAHRFGILITDRSFNNFWPSKIKPGSSGVSAMDIGKCMTFDAKIVNAKVLTQRGKSVVWLSQDFSTLSSTAQKVLVKTFVEEGVNFSLTFNAVGSDEDLPYERFTESVSAKSGSGFFDVLKQLKQLFWCLVLFITLYGLCSVYSVATQSYIDSAEGYDYMVIKNGVVQSFDDSINCVHNTYKGFAVWFKAKHGFVPTFDKSCPIVLGTVFDLGNMRPIPDVPAYVALVGRSLVFAINAAFGVTNVCYDHTGAAVSKNSYFDTCVFNSACTTLTGIGGTVVYCAKQGLVEGAKLYSELLPDYYYEHASGNMVKIPAIIRSFGLRFVKTQATTYCRVGECTESQAGFCFGGDNWFVYDKEFGDGYICGSSTLGFFKNVFALFNSNMSVVATSGAMLANIVIACLAIAVCYGVLKFKKIFGDCTLLVVMIIVTLVVNNVSYFVTQNTFFMIVYAIIYYFTTRKLAYPGVLDAGFIIAYLNMAPWYVLVLYIMVFLYDSLPSLFKLKVTTNLFEGDKFVGSFESAAMGTFVIDMRSYETLVNSTSLDRIKSYANSFNKYKYYTGSMGEADYRMACYAHLGKALMDYSVSRNDMLYTPPTVSVNSTLQSGLRKMAQPSGVVEPCIVRVAYGNNVLNGLWLGDEVICPRHVIASDTSRVINYENELSSVRLHNFSIAKNNAFLGVVSAKYKGVNLVLKVNQVNPNTPEHKFKSVRPGESFNILACYEGCPGSVYGVNMRSQGTIKGSFIAGTCGSVGYVLENGTLYFVYMHHLELGNGSHVGSNLEGEMYGGYEDQPSMQLEGTNVMSSDNVVAFLYAALINGERWFVTNTSMTLESYNAWAKTNSFTEIVSTDAFNMLAAKTGYSVEKLLECIVRLNKGFGGRTILSYGSLCDEFTPTEVIRQMYGVNLQSGKVKSIFYPMMTAIAILFAFWLEFFMYTPFTWINPTFVSVVLAITTLVSVLLVAGIKHKMLFFMSFVMPSVILATAHNVVWDMTYYESLQVLVENVNTTFLPVDMQGVMLALFCVVVFVICTIRFFTCKQSWFSLFATTIFVMFNIVKLLGMIGEPWTDDHFLLCLVNMLTMLISLTTKDWFVVFASYKVAYYIVVYVMQPAFVQDFGFVKCVSIIYMACGYLFCCYYGILYWVNRFTCMTCGVYQFTVSPAELKYMTANNLSAPKTAYDAMILSFKLMGIGGGRNIKISTVQSKLTEMKCTNVVLLGLLSKMHVESNSKEWNYCVGLHNEINLCDDPDAVLEKLLALIAFFLSKHNTCDLSDLIESYFENTTILQSVASAYAALPSWIAYEKARADLEEAKKNDVSPQLLKQLTKACNIAKSEFEREASVQKKLDKMAEQAAASMYKEARAVDRKSKIVSAMHSLLFGMLKKLDMSSVNTIIEQARNGVLPLSIIPAASATRLIVVTPNLEVLSKVRQENNVHYAGAIWSIVEVKDANGAQVHLKEVTAANELNITWPLSITCERTTKLQNNEILPGKLKEKAVKASATIDGDAYGSGKALMASEGGKSFIYAFIASDSNLKYVKWESNNDVIPIELEAPLRFYVDGVNGPEVKYLYFVKSLNTLRRGAVLGYIGATVRLQAGKPTEHPSNSGLLTLCAFAPDPAKAYVDAVKRGMQPVTNCVKMLSNGAGNGMAITNGVESNTQQDSYGGASVCIYCRCHVEHPAIDGLCRFKGKFVQVPTGTQDPIRFCIENEVCVVCGCWLTNGCMCDRTSIQGTTIDQSYLNECGVLVQLDLEPCNGTDPDHVSRAFDIYNKDVACIGKFLKTNCSRFRNLDKHDAYYVVKRCTKSVMDHEQVCYNDLKDSGVVAEHDFFLYKEGRCEFGNVARKDLTKYTMMDLCYAIRNFDEKNCEVLKEILVTLGACNESFFENKDWFDPVENEAIHEVYARLGPIVANAMLKCVAFCDAIVEKGYIGIITLDNQDLNGNFYDFGDFVKTTPGFGCACVTSYYSYMMPLMGMTSCLESENFVKSDIYGADYKQYDLLAYDFTDHKEKLFHKYFKHWDRTYHPNCSDCTSDECIIHCANFNTLFSMTIPSTAFGPLVRKVHIDGVPVVVTAGYHFKQLGIVWNLDVKLDTMKLSMTDLLRFVTDPTLLVASSPALLDQRTVCFSIAALSTGVTYQTVKPGHFNKDFYDFITERGFFEEGSELTLKHFFFAQGGEAAMTDFNYYRYNRVTVLDICQAQFVYKIVGKYFECYDGGCINAREVVVTNYDKSAGYPLNKFGKARLYYETLSYEEQDALFALTKRNVLPTMTQMNLKYAISGKARARTVGGVSLLSTMTTRQYHQKHLKSIAATRNATVVIGSTKFYGGWDNMLKNLMRDVDNGCLMGWDYPKCDRALPNMIRMASAMILGSKHVGCCTHSDRFYRLSNELAQVLTEVVHCTGGFYFKPGGTTSGDGTTAYANSAFNIFQAVSANVNKLLGVDSNACNNVTVKSIQRKIYDNCYRSSSIDEEFVVEYFSYLRKHFSMMILSDDGVVCYNKDYADLGYVADINAFKATLYYQNNVFMSTSKCWVEPDLSVGPHEFCSQHTLQIVGPDGDYYLPYPDPSRILSAGVFVDDIVKTDNVIMLERYVSLAIDAYPLTKHPKPAYQKVFYTLLDWVKHLQKNLNAGVLDSFSVTMLEEGQDKFWSEEFYASLYEKSTVLQAAGMCVVCGSQTVLRCGDCLRRPLLCTKCAYDHVMGTKHKFIMSITPYVCSFNGCNVNDVTKLFLGGLSYYCMDHKPQLSFPLCANGNVFGLYKSSAVGSEDVEDFNKLAVSDWTNVEDYKLANNVKESLKIFAAETVKAKEESVKSEYAYAILKEVIGPKEIVLQWEASKTKPPLNRNSVFTCFQISKDTKIQLGEFVFEQSEYGSDSVYYKSTSTYKLTPGMIFVLTSHNVSPLKATILVNQEKYNTISKLYPVFNIAEAYNTLVPYYQMIGKQKFTTIQGPPGSGKSHCVIGLGLYYPQARIVYTACSHAAVDALCEKAAKNFNVDRCSRIIPQRIRVDCYTGFKPNNTNAQYLFCTVNALPEASCDIVVVDEVSMCTNYDLSVINSRLSYKHIVYVGDPQQLPAPRTLINKGVLQPQDYNVVTQRVCTLGPDVFLHKCYRCPAEIVKTVSALVYENKFVPVNPESKQCFKMFVKGQVQIESNSSINNKQLEVVKAFLAHNPKWRKAVFISPYNSQNYVARRLLGLQTQTVDSAQGSEYDYVIYTQTSDTQHATNVNRFNVAITRAKVGILCIMCDRTMYENLDFYELKDSKIGLQAKPETCGLFKDCSKSEQYIPPAYATTYMSLSDNFKTSDGLAVNIGTKDVKYANVISYMGFRFEANIPGYHTLFCTRDFAMRNVRAWLGFDVEGAHVCGDNVGTNVPLQLGFSNGVDFVVQTEGCVVTEKGNSIEVVKARAPPGEQFAHLIPLMRKGQPWHIVRRRIVQMVCDYFDGLSDILIFVLWAGGLELTTMRYFVKIGRPQKCECGKSATCYSSSQCVYACFKHALGCDYLYNPYCIDIQQWGYTGSLSMNHHEVCNIHRNEHVASGDAIMTRCLAIHDCFVKRVDWSIVYPFIDNEEKINKAGRIVQSHVMKAALKIFNPAAIHDVGNPKGIRCATTPIPWFCYDRDPINNNVRCLEYDYMVHGQMNGLMLFWNCNVDMYPEFSIVCRFDTRTRSKLSLEGCNGGALYVNNHAFHTPAYDRRAFAKLKPMPFFYYDDSNCELVDGQPNYVPLKSNVCITKCNIGGAVCKKHAALYRAYVEDYNMFMQAGFTIWCPQNFDTYMLWHGFVNSKALQSLENVAFNVVKKGAFTGLKGDLPTAVIADKIMVRDGPTDKCIFTNKTSLPTNVAFELYAKRKLGLTPPLTILRNLGVVATYKFVLWDYEAECPFSNFTKQVCSYTDLDSEVVTCFDNSIAGSFERFTTTKDAVLISNNAVKGLSAIKLQYGFLNDLPVSTVGNKPVTWYIYVRKNGEYVEQIDSYYTHGRTFETFKPRSTMEEDFLSMDTTLFIQKYGLEDYGFEHVVFGDVSKTTIGGMHLLISQVRLAKMGLFSVQEFMTNSDSTLKSCCITYADDPSSKNVCTYMDILLDDFVTIIKSLDLNVVSKVVDVIVDCKAWRWMLWCENSQIKTFYPQLQSAEWNPGYSMPTLYKIQRMCLERCNLYNYGAQVRLPDGITTNVVKYTQLCQYLNTTTVCVPHKMRVLHLGAAGASGVAPGSTVLRRWLPDDAILVDNDLRDYVSDADFSVTGDCTSLYIEDKFDLLISDLYDGSTKSIDGENTSKDGFFTYINGFIKEKLSLGGSAAIKITEFSWNKDLYELIQRFEYWTVFCTSVNTSSSEGFLIGINYLGPYCDKAIVDGNIMHANYIFWRNSTIMALSHNSVLDTPKFKCRCNNALIVNLKEKELNEMVVGLLRKGKLLIRNNGKLLNFGNHLVNVP
  
Inhibitor
Name:
BDBM420979
Synonyms:
US9975885, Compound 34
Type:
Small organic molecule
Emp. Form.:
C30H27N7O3S
Mol. Mass.:
565.645
SMILES:
O=C(Cn1nnc2ccccc12)N(C(C(=O)NCc1cccnc1)c1ccsc1)c1ccc(NC(=O)C2CC2)cc1
Structure:
Search PDB for entries with ligand similarity: