Target
Replicase polyprotein 1ab
Ligand
BDBM420991
Substrate
n/a
Meas. Tech.
IC50 Determination
IC50
1400±100 nM
Citation
 St. John, SEMesecar, AD Broad-spectrum non-covalent coronavirus protease inhibitors US Patent  US9975885 Publication Date 5/22/2018 
Target
Name:
Replicase polyprotein 1ab
Synonyms:
ORF1ab polyprotein | R1AB_PEDV7 | pp1ab | rep
Type:
Protein
Mol. Mass.:
753183.87
Organism:
PEDV
Description:
P0C6Y4
Residue:
6781
Sequence:
MASNHVTLAFANDAEISAFGFCTASEAVSYYSEAAASGFMQCRFVSLDLADTVEGLLPEDYVMVVIGTTKLSAYVDTFGSRPRNICGWLLFSNCNYFLEELELTFGRRGGNIVPVDQYMCGADGKPVLQESEWEYTDFFADSEDGQLNIAGITYVKAWIVERSDVSYASQNLTSIKSITYCSTYEHTFLDGTAMKVARTPKIKKNVVLSEPLATIYREIGSPFVDNGSDARSIIRRPVFLHAFVKCKCGSYHWTVGDWTSYVSTCCGFKCKPVLVASCSAMPGSVVVTRAGAGTGVKYYNNMFLRHVADIDGLAFWRILKVQSKDDLACSGKFLEHHEEGFTDPCYFLNDSSLATKLKFDILSGKFSDEVKQAIIAGHVVVGSALVDIVDDALGQPWFIRKLGDLASAPWEQLKAVVRGLGLLSDEVVLFGKRLSCATLSIVNGVFEFLADVPEKLAAAVTVFVNFLNEFFESACDCLKVGGKTFNKVGSYVLFDNALVKLVKAKARGPRQAGICEVRYTSLVVGSTTKVVSKRVENANVNLVVVDEDVTLNTTGRTVVVDGLAFFESDGFYRHLADADVVIEHPVYKSACELKPVFECDPIPDFPLPVAASVAELCVQTDLLLKNYNTPYKTYSCVVRGDKCCITCTLQFKAPSYVEDAVNFVDLCTKNIGTAGFHEFYITAHEQQDLQGFLTTCCTMSGFECFMPTIPQCPAVLEEIDGGSIWRSFITGLNTMWDFCKRLKVSFGLDGIVVTVARKFKRLGALLAEMYNTYLSTVVENLVLAGVSFKYYATSVPKIVLGGCFHSVKSVFASVFQIPVQAGIEKFKVFLNCVHPVVPRVIETSFVELEETTFKPPALNGGIAIVDGFAFYYDGTLYYPTDGNSVVPICFKKKGGGDVKFSDEVSVKTIDPVYKVSLEFEFESETIMAVLNKAVGNRIKVTGGWDDVVEYINVAIEVLKDHVEVPKYYIYDEEGGTDPNLPVMVSQWPLNDDTISQDLLDVEVVTDAPIDSEGDEVDSSAPEKVADVANSEPGDDGLPVAPETNVESEVEEVAATLSFIKDTPSTVTKDPFAFDFVSYGGLKVLRQSHNNCWVTSTLVQLQLLGIVDDPAMELFSAGRVGPMVRKCYESQKAILGSLGDVSACLESLTKDLHTLKITCSVVCGCGTGERIYEGCAFRMTPTLEPFPYGACAQCAQVLMHTFKSIVGTGIFCRDTTALSLDSLVVKPLCAAAFIGKDSGHYVTNFYDAAMAIDGYGRHQIKYDTLNTICVKDVNWTAPLVPAVDSVVEPVVKPFYSYKNVDFYQGDFSDLVKLPCDFVVNAANEKLSHGGGIAKAIDVYTKGMLQKCSNDYIKAHGPIKVGRGVMLEALGLKVFNVVGPRKGKHAPELLVKAYKSVFANSGVALTPLISVGIFSVPLEESLSAFLACVGDRHCKCFCYGDKEREAIIKYMDGLVDAIFKEALVDTTPVQEDVQQVSQKPVLPNFEPFRIEGAHAFYECNPEGLMSLGADKLVLFTNSNLDFCSVGKCLNDVTSGALLEAINVFKKSNKTVPAGNCVTLDCANMISITMVVLPFDGDANYDKNYARAVVKVSKLKGKLVLAVDDATLYSKLSHLSVLGFVSTPDDVERFYANKSVVIKVTEDTRSVKAVKVESTATYGQQIGPCLVNDTVVTDNKPVVADVVAKVVPNANWDSHYGFDKAGEFHMLDHTGFTFPSEVVNGRRVIKTTDNNCWVNVTCLQLQFARFRFKSAGLQAMWESYCTGDVAMFVHWLYWLTGVDKGQPSDSENALNMLSKYIVPAGSVTIERVTHDGCCCSKRVVTAPVVNASVLKLGVEDGLCPHGLNYIGKVVVVKGTTIVVNVGKPVVAPSHLFLKGVSYTTFLDNGNGVVGHYTVFDHGTGMVHDGDAFVPGDLNVSPVTNVVVSEQTAVVIKDPVKKAELDATKLLDTMNYASERFFSFGDFMSRNLITVFLYILSILGLCFRAFRKRDVKVLAGVPQRTGIILRKSMRYNAKALGVFFKLKLYWFKVLGKFSLGIYALYALLFMTIRFTPIGSPVCDDVVAGYANSSFDKNEYCNSVICKVCLYGYQELSDFSHTQVVWQHLRDPLIGNVMPFFYLAFLAIFGGVYVKAITLYFIFQYLNSLGVFLGLQQSIWFLQLVPFDVFGDEIVVFFIVTRVLMFIKHVCLGCDKASCVACSKSARLKRVPVQTIFQGTSKSFYVHANGGSKFCKKHNFFCLNCDSYGPGCTFINDVIATEVGNVVKLNVQPTGPATILIDKVEFSNGFYYLYSGDTFWKYNFDITDSKYTCKEALKNCSIITDFIVFNNNGSNVNQVKNACVYFSQMLCKPVKLVDSALLASLSVDFGASLHSAFVSVLSNSFGKDLSSCNDMQDCKSTLGFDDVPLDTFNAAVAEAHRYDVLLTDMSFNNFTTSYAKPEEKFPVHDIATCMRVGAKIVNHNVLVKDSIPVVWLVRDFIALSEETRKYIIRTTKVKGITFMLTFNDCRMHTTIPTVCIANKKGAGLPSFSKVKKFFWFLCLFIVAAFFALSFLDFSTQVSSDSDYDFKYIESGQLKTFDNPLSCVHNVFINFDQWHDAKFGFTPVNNPSCPIVVGVSDEARTVPGIPAGVYLAGKTLVFAINTIFGTSGLCFDASGVADKGACIFNSACTTLSGLGGTAVYCYKNGLVEGAKLYSELAPHSYYKMVDGNAVSLPEIISRGFGIRTIRTKAMTYCRVGQCVQSAEGVCFGADRFFVYNAESGSDFVCGTGLFTLLMNVISVFSKTVPVTVLSGQILFNCIIAFVAVAVCFLFTKFKRMFGDMSVGVFTVGACTLLNNVSYIVTQNTLGMLGYATLYFLCTKGVRYMWIWHLGFLISYILIAPWWVLMVYAFSAIFEFMPNLFKLKVSTQLFEGDKFVGSFENAAAGTFVLDMHAYERLANSISTEKLRQYASTYNKYKYYSGSASEADYRLACFAHLAKAMMDYASNHNDTLYTPPTVSYNSTLQAGLRKMAQPSGVVEKCIVRVCYGNMALNGLWLGDIVMCPRHVIASSTTSTIDYDYALSVLRLHNFSISSGNVFLGVVSATMRGALLQIKVNQNNVHTPKYTYRTVRPGESFNILACYDGAAAGVYGVNMRSNYTIRGSFINGACGSPGYNINNGTVEFCYLHQLELGSGCHVGSDLDGVMYGGYEDQPTLQVEGASSLFTENVLAFLYAALINGSTWWLSSSRIAVDRFNEWAVHNGMTTVGNTDCFSILAAKTGVDVQRLLASIQSLHKNFGGKQILGHTSLTDEFTTGEVVRQMYGVNLQGGYVSRACRNVLLVGSFLTFFWSELVSYTKFFWVNPGYVTPMFACLSLLSSLLMFTLKHKTLFFQVFLIPALIVTSCINLAFDVEVYNYLAEHFDYHVSLMGFNAQGLVNIFVCFVVTILHGTYTWRFFNTPASSVTYVVALLTAAYNYFYASDILSCAMTLFASVTGNWFVGAVCYKVAVYMALRFPTFVAIFGDIKSVMFCYLVLGYFTCCFYGILYWFNRFFKVSVGVYDYTVSAAEFKYMVANGLRAPTGTLDSLLLSAKLIGIGGERNIKISSVQSKLTDIKCSNVVLLGCLSSMNVSANSTEWAYCVDLHNKINLCNDPEKAQEMLLALLAFFLSKNSAFGLDDLLESYFNDNSMLQSVASTYVGLPSYVIYENARQQYEDAVNNGSPPQLVKQLRHAMNVAKSEFDREASTQRKLDRMAEQAAAQMYKEARAVNRKSKVVSAMHSLLFGMLRRLDMSSVDTILNLAKDGVVPLSVIPAVSATKLNIVTSDIDSYNRIQREGCVHYAGTIWNIIDIKDNDGKVVHVKEVTAQNAESLSWPLVLGCERIVKLQNNEIIPGKLKQRSIKAEGDGIVGEGKALYNNEGGRTFMYAFISDKPDLRVVKWEFDGGCNTIELEPPRKFLVDSPNGAQIKYLYFVRNLNTLRRGAVLGYIGATVRLQAGKQTEQAINSSLLTLCAFAVDPAKTYIDAVKSGHKPVGNCVKMLANGSGNGQAVTNGVEASTNQDSYGGASVCLYCRAHVEHPSMDGFCRLKGKYVQVPLGTVDPIRFVLENDVCKVCGCWLSNGCTCDRSIMQSTDMAYLNRVRGSSAARLEPCNGTDTQHVYRAFDIYNKDVACLGKFLKVNCVRLKNLDKHDAFYVVKRCTKSAMEHEQSIYSRLEKCGAIAEHDFFTWKDGRAIYGNVCRKDLTEYTMMDLCYALRNFDENNCDVLKSILIKVGACEESYFNNKVWFDPVENEDIHRVYALLGTIVARAMLKCVKFCDAMVEQGIVGVVTLDNQDLNGDFYDFGDFTCSIKGMGVPICTSYYSYMMPVMGMTNCLASECFVKSDIFGEDFKSYDLLEYDFTEHKTALFNKYFKYWGLQYHPNCVDCSDEQCIVHCANFNTLFSTTIPITAFGPLCRKCWIDGVPLVTTAGYHFKQLGIVWNNDLNLHSSRLSINELLQFCSDPALLIASSPALVDQRTVCFSVAALGTGMTNQTVKPGHFNKEFYDFLLEQGFFSEGSELTLKHFFFAQKVDAAVKDFDYYRYNRPTVLDICQARVVYQIVQRYFDIYEGGCITAKEVVVTNLNKSAGYPLNKFGKAGLYYESLSYEEQDELYAYTKRNILPTMTQLNLKYAISGKERARTVGGVSLLSTMTTRQYHQKHLKSIVNTRGASVVIGTTKFYGGWDNMLKNLIDGVENPCLMGWDYPKCDRALPNMIRMISAMILGSKHTTCCSSTDRFFRLCNELAQVLTEVVYSNGGFYLKPGGTTSGDATTAYANSVFNIFQAVSANVNKLLSVDSNVCHNLEVKQLQRKLYECCYRSTIVDDQFVVEYYGYLRKHFSMMILSDDGVVCYNNDYASLGYVADLNAFKAVLYYQNNVFMSASKCWIEPDINKGPHEFCSQHTMQIVDKEGTYYLPYPDPSRILSAGVFVDDVVKTDAVVLLERYVSLAIDAYPLSKHENPEYKKVFYVLLDWVKHLYKTLNAGVLESFSVTLLEDSTAKFWDESFYANMYEKSAVLQSAGLCVVCGSQTVLRCGDCLRRPMLCTKCAYDHVIGTTHKFILAITPYVCCASDCGVNDVTKLYLGGLSYWCHEHKPRLAFPLCSAGNVFGLYKNSATGSPDVEDFNRIATSDWTDVSDYRLANDVKDSLRLFAAETIKAKEESVKSSYACATLHEVVGPKELLLKWEVGRPKPPLNRNSVFTCYHITKNTKFQIGEFVFEKAEYDNDAVTYKTTATTKLVPGMVFVLTSHNVQPLRAPTIANQERYSTIHKLHPAFNIPEAYSSLVPYYQLIGKQKITTIQGPPGSGKSHCVIGLGLYYPGARIVFTACSHAAVDSLCVKASTAYSNDKCSRIIPQRARVECYDGFKSNNTSAQYLFSTVNALPECNADIVVVDEVSMCTNYDLSVINQRISYRHVVYVGDPQQLPAPRVMISRGTLEPKDYNVVTQRMCALKPDVFLHKCYRCPAEIVRTVSEMVYENQFIPVHPDSKQCFKIFCKGNVQVDNGSSINRRQLDVVRMFLAKNPRWSKAVFISPYNSQNYVASRLLGLQIQTVDSSQGSEYDYVIYAQTSDTAHASNVNRFNVAITRAKKGILCIMCDRSLFDLLKFFELKLSDLQANEGCGLFKDCSRGDDLLPPSHANTFMSLADNFKTDQYLAVQIGVNGPIKYEHVISFMGFRFDINIPNHHTLFCTRDFAMRNVRGWLGFDVEGAHVVGSNVGTNVPLQLGFSNGVDFVVRPEGCVVTESGDYIKPVRARAPPGEQFAHLLPLLKRGQPWDVVRKRIVQMCSDYLANLSDILIFVLWAGGLELTTMRYFVKIGPSKSCDCGKVATCYNSALHTYCCFKHALGCDYLYNPYCIDIQQWGYKGSLSLNHHEHCNVHRNEHVASGDAIMTRCLAIHDCFVKNVDWSITYPFIGNEAVINKSGRIVQSHTMRSVLKLYNPKAIYDIGNPKGIRCAVTDAKWFCFDKNPTNSNVKTLEYDYITHGQFDGLCLFWNCNVDMYPEFSVVCRFDTRCRSPLNLEGCNGGSLYVNNHAFHTPAFDKRAFAKLKPMPFFFYDDTECDKLQDSINYVPLRASNCITKCNVGGAVCSKHCAMYHSYVNAYNTFTSAGFTIWVPTSFDTYNLWQTFSNNLQGLENIAFNVLKKGSFVGDEGELPVAVVNDKVLVRDGTVDTLVFTNKTSLPTNVAFELYAKRKVGLTPPITILRNLGVVCTSKCVIWDYEAERPLTTFTKDVCKYTDFEGDVCTLFDNSIVGSLERFSMTQNAVLMSLTAVKKLTGIKLTYGYLNGVPVNTHEDKPFTWYIYTRKNGKFEDYPDGYFTQGRTTADFSPRSDMEKDFLSMDMGLFINKYGLEDYGFEHVVYGDVSKTTLGGLHLLISQVRLACMGVLKIDEFVSSNDSTLKSCTVTYADNPSSKMVCTYMDLLLDDFVSILKSLDLSVVSKVHEVMVDCKMWRWMLWCKDHKLQTFYPQLQASEWKCGYSMPSIYKIQRMCLEPCNLYNYGAGVKLPDGIMFNVVKYTQLCQYLNSTTMCVPHHMRVLHLGAGSDKGVAPGTAVLRRWLPLDAIIVDNDSVDYVSDADYSVTGDCSTLYLSDKFDLVISDMYDGKIKSCDGENVSKEGFFPYINGVITEKLALGGTVAIKVTEFSWNKKLYELIQKFEYWTMFCTSVNTSSSEAFLIGVHYLGDFASGAVIDGNTMHANYIFWRNSTIMTMSYNSVLDLSKFNCKHKATVVVNLKDSSISDVVLGLLKNGKLLVRNNDAICGFSNHLVNVNK
  
Inhibitor
Name:
BDBM420991
Synonyms:
US9975885, Compound 44
Type:
Small organic molecule
Emp. Form.:
C26H33N5O2
Mol. Mass.:
447.5725
SMILES:
CC(C)(C)CNC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)C(C)(C)C)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: