Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetReplicase polyprotein 1ab
LigandBDBM420298
Substrate/Competitorn/a
Meas. Tech.FRET protease activity assay
Ki 0.12±0.10 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:2.1.1.- | 2.7.7.48 | 3.1.-.- | 3.1.13.- | 3.4.19.12 | 3.4.22.- | 3.6.4.12 | 3.6.4.13 | 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 | RNA-directed RNA polymerase | RdRp | Replicase polyprotein 1ab | 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:
MSSKQFKILVNEDYQVNVPSLPFRDALQEIKYCYRNGFDGYVFVPEYRRDLVDCNRKDHY
VIGVLGNGISDLKPVLLTEPSVMLQGFIVRANCNGVLEDFDLKFARTGNGAIYVDQYMCG
ADGKPVIEGEFKDYFGDEDVIIYEGEEYHCAWLTVRDEKPLWQQTLLTIREIQYNLDIPH
KLPNCAIREVAPPVKKNSKVVLSEEYRKLYDIFGSPFMGNGDSLNTCFDSLHFIAATLKC
PCGAESSGVGDWTGFKTACCGLHGKVKGVTLGAVKPGDAIVTSMSAGKGVKFFANSVLQY
AGDVENVSVWKVIKTFTVNETVCTTDFEGELNDFIRPESTSPVSCSIKRAFITGEVDDAV
HDCIIAGKLDLSTNLFGSANLLFKKMPWFVQKCGAIFADAWKVVEELLCSLKLTYKQIYD
VVASLCTSAFTIMDYKPVFVVSSNSVKDLVDKCVKILVKAFDVFTQTITIAGVEAKCFVL
GSKYLLFNNALVKLVSVKILGKRQKGLDSAFFATNLIGATVNVTPQRTESAYISLNKVDD
VVTPGGGHIVIIGDMAFYKSEEYYFMMASPDSVLVNNVFKAARVPSYNIVYDVNDDTKSK
MVVKIGTSFDFDGDLDAAIAKVNDLLIEFRQEKLCFRALKDGENILVEAYLKKYKMPVCL
KNHVGLWDIIRQDSGKKGFLDTFNHLNELEDVKDIKIQTIKNIICPDLLLELDFGAIWYR
CMPACSDKSILGNVKIMLGNGVKVVCDGCHSFANRLTINYNKLCDTARKDIEIGGIPFST
FKTPSSSFIDMKDAIYSVVEYGEALSFKTASVPVTNSGIITTDDWSDPILLEPADYVEPK
DNGDVIVIAGYTFYKDEDDHFYPYGSGMVVQKMYNKMGGGDKSVSFSDNVNVREIEPVTR
VRLEFEFDNEVVTQVLEKVIGTKYKFIGTTWEEFEDSISEKLDKIFDTLAEQGVELEGYF
IYDTCGGFDINNPDGVMISQYDLNTAADDKSDSDASVEDISLISDNEDVEQIEEDNTSTD
DAEDVSSVEGETVSVVDVEDFVEQVSLVEENNVLTPAVNPDEQLSSVEKKDEVSAKNDPW
AAAVDEQEAEQPKPSLTPFKTTNLNGKIILKQQDNNCWINACCYQLQAFDFFNHDLWDGF
KKDDVMPFVDFCYAALTLKQGDSGDAEYLLETMLNDYSTAKVTLSAKCGCGVKEIVLERT
VFKLTPLRNEFKYGVCGDCKQINMCKFASVEGSGVFVHDRIEKQTPVSQFIVTPTMHAVY
TGTTQSGHYMIEDCIHDYCVDGMGIKPRKHKFYTSTLFLNANVMTAKSKTMVEPPVPVED
KCVEDCQSPKDLILPFYKAGKVSFYQGDLDVLINFLEPDVLVNAANGDLRHVGGVARAID
VFTGGKLTKRSKEYLKSSKAIAPGNAVLFENVLEHLSVLNAVGPRNGDSRVEGKLCNVYK
AIAKCDGKILTPLISVGIFKVKLEVSLQCLLKTVTDRDLNVFVYTDQERVTIENFFNGTI
PIKVTEDTVNQKRVSVALDKTYGEQLKGTVVIKDKDVTNQLPSVSDVGEKVVKALDVDWN
AYYGFPNAAAFSASSHDAYEFDVVTHNNFIVHKQTDNNCWVNAICLALQRLKPTWKFPGV
KSLWDAFLTRKTAGFVHMLYHISGLTKGQPGDAELTLHKLVDLMSSDSAVTVTHTTACDK
CAKVETFTGPVVAAPLLVCGTDEICVHGVHVNVKVTSIRGTVAITSLIGPVVGDVIDATG
YICYTGLNSRGHYTYYDNRNGLMVDADKAYHFEKNLLQVTTAIASNFVANTPKKEIMPKT
QAKESKAKESNTARVFSEVEENPKNIVRKEKLLAIESGVDYTITTLGKYADVFFMAGDKI
LRFLLEVFKYLLVVFMCLRKSKMPKVKVKPPHVFRNLGAKVRTLNYVRQLNKPALWRYIK
LVLLLIALYHFFYLFVSIPVVHKLACSGSVQAYSNSSFVKSEVCGNSILCKACLASYDEL
ADFDHLQVSWDYKSDPLWNRVIQLSYFIFLAVFGNNYVRCLLMYFVSQYLNLWLSYFGYV
KYSWFLHVVNFESISVEFVIIVVVFKAVLALKHIFLPCNNPSCKTCSKIARQTRIPIQVV
VNGSMKTVYVHANGTGKLCKKHNFYCKNCDSYGFDHTFICDEIVRDLSNSIKQTVYATDR
SYQEVTKVECTDGFYRFYVGEEFTAYDYDVKHKKYSSQEVLKTMFLLDDFIVYNPSGSSL
ASVRNVCVYFSQLIGRPIKIVNSELLEDLSVDFKGALFNAKKNVIKNSFNVDVSECKNLE
ECYKLCNLDVTFSTFEMAINNAHRFGILITDRSFNNFWPSKIKPGSSGVSAMDIGKCMTF
DAKIVNAKVLTQRGKSVVWLSQDFSTLSSTAQKVLVKTFVEEGVNFSLTFNAVGSDEDLP
YERFTESVSAKSGSGFFDVLKQLKQLFWCLVLFITLYGLCSVYSVATQSYIDSAEGYDYM
VIKNGVVQSFDDSINCVHNTYKGFAVWFKAKHGFVPTFDKSCPIVLGTVFDLGNMRPIPD
VPAYVALVGRSLVFAINAAFGVTNVCYDHTGAAVSKNSYFDTCVFNSACTTLTGIGGTVV
YCAKQGLVEGAKLYSELLPDYYYEHASGNMVKIPAIIRSFGLRFVKTQATTYCRVGECTE
SQAGFCFGGDNWFVYDKEFGDGYICGSSTLGFFKNVFALFNSNMSVVATSGAMLANIVIA
CLAIAVCYGVLKFKKIFGDCTLLVVMIIVTLVVNNVSYFVTQNTFFMIVYAIIYYFTTRK
LAYPGVLDAGFIIAYLNMAPWYVLVLYIMVFLYDSLPSLFKLKVTTNLFEGDKFVGSFES
AAMGTFVIDMRSYETLVNSTSLDRIKSYANSFNKYKYYTGSMGEADYRMACYAHLGKALM
DYSVSRNDMLYTPPTVSVNSTLQSGLRKMAQPSGVVEPCIVRVAYGNNVLNGLWLGDEVI
CPRHVIASDTSRVINYENELSSVRLHNFSIAKNNAFLGVVSAKYKGVNLVLKVNQVNPNT
PEHKFKSVRPGESFNILACYEGCPGSVYGVNMRSQGTIKGSFIAGTCGSVGYVLENGTLY
FVYMHHLELGNGSHVGSNLEGEMYGGYEDQPSMQLEGTNVMSSDNVVAFLYAALINGERW
FVTNTSMTLESYNAWAKTNSFTEIVSTDAFNMLAAKTGYSVEKLLECIVRLNKGFGGRTI
LSYGSLCDEFTPTEVIRQMYGVNLQSGKVKSIFYPMMTAIAILFAFWLEFFMYTPFTWIN
PTFVSVVLAITTLVSVLLVAGIKHKMLFFMSFVMPSVILATAHNVVWDMTYYESLQVLVE
NVNTTFLPVDMQGVMLALFCVVVFVICTIRFFTCKQSWFSLFATTIFVMFNIVKLLGMIG
EPWTDDHFLLCLVNMLTMLISLTTKDWFVVFASYKVAYYIVVYVMQPAFVQDFGFVKCVS
IIYMACGYLFCCYYGILYWVNRFTCMTCGVYQFTVSPAELKYMTANNLSAPKTAYDAMIL
SFKLMGIGGGRNIKISTVQSKLTEMKCTNVVLLGLLSKMHVESNSKEWNYCVGLHNEINL
CDDPDAVLEKLLALIAFFLSKHNTCDLSDLIESYFENTTILQSVASAYAALPSWIAYEKA
RADLEEAKKNDVSPQLLKQLTKACNIAKSEFEREASVQKKLDKMAEQAAASMYKEARAVD
RKSKIVSAMHSLLFGMLKKLDMSSVNTIIEQARNGVLPLSIIPAASATRLIVVTPNLEVL
SKVRQENNVHYAGAIWSIVEVKDANGAQVHLKEVTAANELNITWPLSITCERTTKLQNNE
ILPGKLKEKAVKASATIDGDAYGSGKALMASEGGKSFIYAFIASDSNLKYVKWESNNDVI
PIELEAPLRFYVDGVNGPEVKYLYFVKSLNTLRRGAVLGYIGATVRLQAGKPTEHPSNSG
LLTLCAFAPDPAKAYVDAVKRGMQPVTNCVKMLSNGAGNGMAITNGVESNTQQDSYGGAS
VCIYCRCHVEHPAIDGLCRFKGKFVQVPTGTQDPIRFCIENEVCVVCGCWLTNGCMCDRT
SIQGTTIDQSYLNECGVLVQLDLEPCNGTDPDHVSRAFDIYNKDVACIGKFLKTNCSRFR
NLDKHDAYYVVKRCTKSVMDHEQVCYNDLKDSGVVAEHDFFLYKEGRCEFGNVARKDLTK
YTMMDLCYAIRNFDEKNCEVLKEILVTLGACNESFFENKDWFDPVENEAIHEVYARLGPI
VANAMLKCVAFCDAIVEKGYIGIITLDNQDLNGNFYDFGDFVKTTPGFGCACVTSYYSYM
MPLMGMTSCLESENFVKSDIYGADYKQYDLLAYDFTDHKEKLFHKYFKHWDRTYHPNCSD
CTSDECIIHCANFNTLFSMTIPSTAFGPLVRKVHIDGVPVVVTAGYHFKQLGIVWNLDVK
LDTMKLSMTDLLRFVTDPTLLVASSPALLDQRTVCFSIAALSTGVTYQTVKPGHFNKDFY
DFITERGFFEEGSELTLKHFFFAQGGEAAMTDFNYYRYNRVTVLDICQAQFVYKIVGKYF
ECYDGGCINAREVVVTNYDKSAGYPLNKFGKARLYYETLSYEEQDALFALTKRNVLPTMT
QMNLKYAISGKARARTVGGVSLLSTMTTRQYHQKHLKSIAATRNATVVIGSTKFYGGWDN
MLKNLMRDVDNGCLMGWDYPKCDRALPNMIRMASAMILGSKHVGCCTHSDRFYRLSNELA
QVLTEVVHCTGGFYFKPGGTTSGDGTTAYANSAFNIFQAVSANVNKLLGVDSNACNNVTV
KSIQRKIYDNCYRSSSIDEEFVVEYFSYLRKHFSMMILSDDGVVCYNKDYADLGYVADIN
AFKATLYYQNNVFMSTSKCWVEPDLSVGPHEFCSQHTLQIVGPDGDYYLPYPDPSRILSA
GVFVDDIVKTDNVIMLERYVSLAIDAYPLTKHPKPAYQKVFYTLLDWVKHLQKNLNAGVL
DSFSVTMLEEGQDKFWSEEFYASLYEKSTVLQAAGMCVVCGSQTVLRCGDCLRRPLLCTK
CAYDHVMGTKHKFIMSITPYVCSFNGCNVNDVTKLFLGGLSYYCMDHKPQLSFPLCANGN
VFGLYKSSAVGSEDVEDFNKLAVSDWTNVEDYKLANNVKESLKIFAAETVKAKEESVKSE
YAYAILKEVIGPKEIVLQWEASKTKPPLNRNSVFTCFQISKDTKIQLGEFVFEQSEYGSD
SVYYKSTSTYKLTPGMIFVLTSHNVSPLKATILVNQEKYNTISKLYPVFNIAEAYNTLVP
YYQMIGKQKFTTIQGPPGSGKSHCVIGLGLYYPQARIVYTACSHAAVDALCEKAAKNFNV
DRCSRIIPQRIRVDCYTGFKPNNTNAQYLFCTVNALPEASCDIVVVDEVSMCTNYDLSVI
NSRLSYKHIVYVGDPQQLPAPRTLINKGVLQPQDYNVVTQRVCTLGPDVFLHKCYRCPAE
IVKTVSALVYENKFVPVNPESKQCFKMFVKGQVQIESNSSINNKQLEVVKAFLAHNPKWR
KAVFISPYNSQNYVARRLLGLQTQTVDSAQGSEYDYVIYTQTSDTQHATNVNRFNVAITR
AKVGILCIMCDRTMYENLDFYELKDSKIGLQAKPETCGLFKDCSKSEQYIPPAYATTYMS
LSDNFKTSDGLAVNIGTKDVKYANVISYMGFRFEANIPGYHTLFCTRDFAMRNVRAWLGF
DVEGAHVCGDNVGTNVPLQLGFSNGVDFVVQTEGCVVTEKGNSIEVVKARAPPGEQFAHL
IPLMRKGQPWHIVRRRIVQMVCDYFDGLSDILIFVLWAGGLELTTMRYFVKIGRPQKCEC
GKSATCYSSSQCVYACFKHALGCDYLYNPYCIDIQQWGYTGSLSMNHHEVCNIHRNEHVA
SGDAIMTRCLAIHDCFVKRVDWSIVYPFIDNEEKINKAGRIVQSHVMKAALKIFNPAAIH
DVGNPKGIRCATTPIPWFCYDRDPINNNVRCLEYDYMVHGQMNGLMLFWNCNVDMYPEFS
IVCRFDTRTRSKLSLEGCNGGALYVNNHAFHTPAYDRRAFAKLKPMPFFYYDDSNCELVD
GQPNYVPLKSNVCITKCNIGGAVCKKHAALYRAYVEDYNMFMQAGFTIWCPQNFDTYMLW
HGFVNSKALQSLENVAFNVVKKGAFTGLKGDLPTAVIADKIMVRDGPTDKCIFTNKTSLP
TNVAFELYAKRKLGLTPPLTILRNLGVVATYKFVLWDYEAECPFSNFTKQVCSYTDLDSE
VVTCFDNSIAGSFERFTTTKDAVLISNNAVKGLSAIKLQYGFLNDLPVSTVGNKPVTWYI
YVRKNGEYVEQIDSYYTHGRTFETFKPRSTMEEDFLSMDTTLFIQKYGLEDYGFEHVVFG
DVSKTTIGGMHLLISQVRLAKMGLFSVQEFMTNSDSTLKSCCITYADDPSSKNVCTYMDI
LLDDFVTIIKSLDLNVVSKVVDVIVDCKAWRWMLWCENSQIKTFYPQLQSAEWNPGYSMP
TLYKIQRMCLERCNLYNYGAQVRLPDGITTNVVKYTQLCQYLNTTTVCVPHKMRVLHLGA
AGASGVAPGSTVLRRWLPDDAILVDNDLRDYVSDADFSVTGDCTSLYIEDKFDLLISDLY
DGSTKSIDGENTSKDGFFTYINGFIKEKLSLGGSAAIKITEFSWNKDLYELIQRFEYWTV
FCTSVNTSSSEGFLIGINYLGPYCDKAIVDGNIMHANYIFWRNSTIMALSHNSVLDTPKF
KCRCNNALIVNLKEKELNEMVVGLLRKGKLLIRNNGKLLNFGNHLVNVP
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